Difference between revisions of "2020 AMS-536 Spring (revised syllabus)"

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|-
 
|-
 
| '''Grading''' ||  Grades will be based on the quality of: <br>
 
| '''Grading''' ||  Grades will be based on the quality of: <br>
(1) the oral presentations (15%); <br>
+
(1) attendance, participation in class discussion, wiki tutorial construction, assisting others (25%) <br>
(2) attendance, participation in class discussion, and wiki tutorial construction (15%); and <br>
+
(2) oral presentations (25%) <br>
(3) the final written report (70%).
+
(3) final written report (50%)
 
|-
 
|-
 
|}
 
|}
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As a result of the COVID-19 outbreak the course syllabus has been revised per University guidelines to address the semester being shortened by one week and document changes necessary to teach the course online for the rest of the semester. A brief summary of the changes include:
 
As a result of the COVID-19 outbreak the course syllabus has been revised per University guidelines to address the semester being shortened by one week and document changes necessary to teach the course online for the rest of the semester. A brief summary of the changes include:
  
 +
<br>(0) The course grading criteria has been modified (see grading breakdown above).
 
<br>(1) The schedule has been revised starting March 23 2020.
 
<br>(1) The schedule has been revised starting March 23 2020.
 
<br>(2) We will continue to hold class at the regularly scheduled time however this will now be done online via the Zoom program ( https://it.stonybrook.edu/services/zoom ).
 
<br>(2) We will continue to hold class at the regularly scheduled time however this will now be done online via the Zoom program ( https://it.stonybrook.edu/services/zoom ).
 
<br>(3) AMBER tutorials are being prerecorded by the Instructors and will be uploaded as appropriate into the course schedule as online videos.  
 
<br>(3) AMBER tutorials are being prerecorded by the Instructors and will be uploaded as appropriate into the course schedule as online videos.  
 
<br>(4) AMBER tutorials should be viewed online before each relevant Zoom meetings so that meeting time can be spent troubleshooting and providing other guidance as necessary for class tutorials.
 
<br>(4) AMBER tutorials should be viewed online before each relevant Zoom meetings so that meeting time can be spent troubleshooting and providing other guidance as necessary for class tutorials.
<br>(5) Class time normally devoted to watching and scoring oral presentations will instead be used for Zoom meetings devoted to troubleshooting and providing other guidance as necessary for Class Projects.
+
<br>(5) Class time normally devoted to watching and evaluating Oral Presentations will instead be used for Zoom meetings devoted to troubleshooting and providing other guidance as necessary for Class Projects.
<br>(6) Project presentations will be recorded by each participant individually, at home, and then emailed to the Instructors for dissemination to the entire class (see due dates below).
+
<br>(6) Oral Presentations of Class Projects will be recorded by each participant individually (see Recording Your Oral Presentation Using Zoom section below), at home, and then emailed to the Instructors (see Video Presentation due date below).
<br>(7) Project presentations will be watched and scored by the instructors and 3 different course participants instead of the entire class (see due dates below).
+
<br>(7) Oral Presentations of Class Projects will be evaluated by 3 course participants and a [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2020_ams.536.presentation.assessment.docx Presentation Assessment Sheet] for each talk evaluated will be submitted based on the Reviewer Assignments outlined below.
 
<br>(8) The Student Accessibility Support Center Statement (see below) has been updated
 
<br>(8) The Student Accessibility Support Center Statement (see below) has been updated
 
<br>(9) A Faculty Technical Support Statement (see below) has been added
 
<br>(9) A Faculty Technical Support Statement (see below) has been added
Line 68: Line 69:
 
'''Recording Your Oral Presentation Using Zoom:''' It is very straightforward to create a video of yourself giving a PPT presentation using Zoom:
 
'''Recording Your Oral Presentation Using Zoom:''' It is very straightforward to create a video of yourself giving a PPT presentation using Zoom:
  
 +
*Download the Zoom app ( https://it.stonybrook.edu/services/zoom )
 
*Open the Zoom app
 
*Open the Zoom app
 
*Create a new Zoom meeting with only yourself (make sure audio and video are turned on)
 
*Create a new Zoom meeting with only yourself (make sure audio and video are turned on)
Line 76: Line 78:
 
*Open the newly created video (using QuickTime or some other video player) to make sure that your test presentation has both audio and video and looks good
 
*Open the newly created video (using QuickTime or some other video player) to make sure that your test presentation has both audio and video and looks good
 
*Follow the above steps to create your "full-length" video presentation (videos should not exceed 20 minutes)
 
*Follow the above steps to create your "full-length" video presentation (videos should not exceed 20 minutes)
*Email your video to the Instructors who will make it available to the class
+
*Email your video to the Instructors who will make it available to the class (please name your Zoom video Lastname.mp4)
  
  
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| '''Date'''
 
| '''Date'''
 
| '''Participant'''
 
| '''Participant'''
| '''Talk'''
+
| '''Notes'''
 
|-
 
|-
 
| || '''SECTION 1: COMPUTING INFRASTRUCTURE AND TOOLS''' ||
 
| || '''SECTION 1: COMPUTING INFRASTRUCTURE AND TOOLS''' ||
 
|-
 
|-
| 2020.01.27 Mon || '''First Day of Class''' <br> Group Study || Seawulf accounts setup <br> unix / vim / csh introduction <br> Discuss presentations and final projects (OHARE sheets)
+
| 2020.01.27 Mon || Group Study || '''First Day of Class''' <br> Seawulf accounts setup <br> unix / vim / csh introduction <br> Discuss presentations and final projects (OHARE sheets)
 
|-
 
|-
 
| 2020.01.29 Wed || Group Study || Seawulf accounts setup <br> unix / vim / csh introduction <br> Visualization demo's Chimera and VMD
 
| 2020.01.29 Wed || Group Study || Seawulf accounts setup <br> unix / vim / csh introduction <br> Visualization demo's Chimera and VMD
Line 130: Line 132:
 
| || '''SECTION 2: DOCK TUTORIAL'''  || [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2013.02.18.ams536.pdf see Joe Allen DOCK slides]  
 
| || '''SECTION 2: DOCK TUTORIAL'''  || [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2013.02.18.ams536.pdf see Joe Allen DOCK slides]  
 
|-
 
|-
| 2020.02.17 Mon || '''Draft Student Project Proposal OHARE Sheet Due''' <br> Group Study || Tutorials: DOCK virtual screening <br> individual project discussion  
+
| 2020.02.17 Mon || Group Study || '''Draft Student Project Proposal OHARE Sheet Due''' <br> Tutorials: DOCK virtual screening <br> individual project discussion  
 
|-
 
|-
 
| 2020.02.19 Wed || Group Study || Tutorials: DOCK virtual screening <br> individual project discussion
 
| 2020.02.19 Wed || Group Study || Tutorials: DOCK virtual screening <br> individual project discussion
 
|-
 
|-
| 2020.02.24 Mon || '''Final Student Project Proposal OHARE Sheet Due''' <br> Group Study || Tutorials: DOCK virtual screening <br> individual project discussion
+
| 2020.02.24 Mon || Group Study || '''Final Student Project Proposal OHARE Sheet Due''' <br> Tutorials: DOCK virtual screening <br> individual project discussion
 
|-
 
|-
 
| 2020.02.26 Wed || Group Study || Tutorials: DOCK virtual screening <br> individual project discussion
 
| 2020.02.26 Wed || Group Study || Tutorials: DOCK virtual screening <br> individual project discussion
Line 146: Line 148:
 
| 2020.03.11 Wed || Group Study || Tutorials: DOCK de novo design  <br> individual project discussion  
 
| 2020.03.11 Wed || Group Study || Tutorials: DOCK de novo design  <br> individual project discussion  
 
|-
 
|-
| 2020.03.16 Mon || '''Spring Recess || Spring Recess'''
+
| 2020.03.16 Mon || '''Spring Recess''' || '''Spring Recess'''
 
|-
 
|-
| 2020.03.18 Wed || '''Spring Recess || Spring Recess'''
+
| 2020.03.18 Wed || '''Spring Recess''' || '''Spring Recess'''
 
|-
 
|-
| || '''REVISED SCHEDULE BEGINS HERE''' ||
+
| || '''REVISED SCHEDULE BEGINS HERE''' || '''REVISED SCHEDULE BEGINS HERE'''
 
|-
 
|-
| 2020.03.23 Mon || '''Extended Spring Recess || Please make sure that the Zoom program is up and running on your home computer <br> https://it.stonybrook.edu/services/zoom '''
+
| 2020.03.23 Mon || '''Extended Spring Recess''' || '''Extended Spring Recess''' <br> Please make sure that the Zoom program is up and running on your home computer <br> https://it.stonybrook.edu/services/zoom
 
|-
 
|-
| 2020.03.25 Wed || '''Extended Spring Recess || Please make sure that the Zoom program is up and running on your home computer <br> https://it.stonybrook.edu/services/zoom '''
+
| 2020.03.25 Wed || '''Extended Spring Recess''' || '''Extended Spring Recess''' <br> Please make sure that the Zoom program is up and running on your home computer <br> https://it.stonybrook.edu/services/zoom
 
|-
 
|-
| || '''SECTION 3: AMBER TUTORIAL'''  || [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2012.02.29.ams536.lingling.amber_intro.pdf see Lingling Jiang AMBER slides ]
+
| || '''SECTION 3: AMBER TUTORIAL'''  || [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2012.02.29.ams536.lingling.amber_intro.pdf see Lingling Jiang AMBER slides ] <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/AMS536_contingency_plan.pdf see Steve Telehaney slides]
 
|-
 
|-
 
| 2020.03.30 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/001_amber.mov see AMBER Video #1 ] <br> individual project discussion
 
| 2020.03.30 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/001_amber.mov see AMBER Video #1 ] <br> individual project discussion
 
|-
 
|-
| 2020.04.01 Wed || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/002_amber.mov see AMBER Video #2 ] <br> individual project discussion
+
| 2020.04.01 Wed || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/002_amber_tleap.mp4 see AMBER Video #2.1 ] <br>  [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/002_amber_visualize.mov see AMBER Video #2.2 ] <br>  [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/002_amber_equilibration.mov see AMBER Video #2.3 ] <br> individual project discussion
 
|-
 
|-
| 2020.04.06 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/003_amber.mov see AMBER Video #3 ] <br> individual project discussion
+
| 2020.04.06 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/003_amber_production_intro.mov see AMBER Video #3.1 ] <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/003_amber.mov see AMBER Video #3.2 ] <br> individual project discussion
 
|-
 
|-
| 2020.04.08 Wed || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/004_amber.mov see AMBER Video #4 ] <br> individual project discussion
+
| 2020.04.08 Wed || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/004_amber.mov see AMBER Video #4.1 ] <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/004_amber_part2.mov see AMBER Video #4.2 ] <br>[http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/004_amber_plot1.mov see AMBER Video #4.3 ] <br> individual project discussion
 
|-
 
|-
 
| 2020.04.13 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/005_amber.mov see AMBER Video #5 ] <br> individual project discussion
 
| 2020.04.13 Mon || Online Group Study || Tutorials: AMBER molecular dynamics <br> [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/005_amber.mov see AMBER Video #5 ] <br> individual project discussion
Line 172: Line 174:
 
| || '''SECTION 4: CLASS PROJECTS''' ||
 
| || '''SECTION 4: CLASS PROJECTS''' ||
 
|-
 
|-
| 2020.04.20 Mon ||  '''Draft Paper Due''' <br> Online Group Study  || Project Analysis/Troubleshooting  
+
| 2020.04.20 Mon || Online Group Study  ||  '''Draft Paper Due''' <br> Project Analysis/Troubleshooting  
 
|-
 
|-
 
| 2020.04.22 Wed || Online Group Study  || Project Analysis/Troubleshooting  
 
| 2020.04.22 Wed || Online Group Study  || Project Analysis/Troubleshooting  
 
|-
 
|-
| 2020.04.27 Mon || Online Group Study  || Project Analysis/Troubleshooting <br> '''Video Presentations Must be Emailed to Guilherme by 2:30PM''' <br> '''Video Presentations Reviewer Assignments:'''
+
| 2020.04.27 Mon || Online Group Study  || '''Video Presentations of Class Projects Must be Emailed to Guilherme by 2:30PM (please name files as "Lastname.mp4")'''<br> Project Analysis/Troubleshooting <br> <br> Each course participant will watch and evaluate 3 Presentations (~ 20 minutes each) based on the Reviewer Assignment schedule below and submit a [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2020_ams.536.presentation.assessment.docx Presentation Assessment Sheet] for each Video (due 1 week from today).  Instructors will evaluate 3-4 presentations each. 
'''(1) Corbo'''
+
<br>
 +
'''(1) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Corbo.mp4 Corbo]'''
 
*Guerra
 
*Guerra
 
*Zhu
 
*Zhu
 
*Stepanenko
 
*Stepanenko
  
'''(2) Kowalski'''
+
'''(2) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Guerra.mp4  Guerra]'''
 +
*Chakraborti
 +
*Zhang
 +
*Pak
 +
 
 +
'''(3) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Laverty.mp4 Laverty]'''
 +
*Jayanetti
 +
*Cardetti
 +
*Guerra
 +
 
 +
'''(4) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Jayanetti.mp4 Jayanetti]'''
 +
*He
 +
*Corbo
 +
*Pak
 +
 
 +
'''(5) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Stepanenko.mov Stepanenko]'''
 
*He
 
*He
 
*Cardetti
 
*Cardetti
 +
*Zhu
 +
 +
'''(6) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Zhang.mp4 Zhang]'''
 +
*Chakraborti
 +
*Corbo
 +
*Laverty
 +
 +
'''(7) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Chakraborti.mp4 Chakraborti]'''
 
*Guerra
 
*Guerra
 +
*Pak
 +
*Zhu
  
'''(3) Guerra'''
+
'''(8) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Pak.mp4 Pak]'''
*Kowalski
+
*He
 +
*Laverty
 +
*Cardetti
 +
 
 +
'''(9) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Cardetti.mp4 Cardetti]'''
 
*Zhang
 
*Zhang
*Pak
+
*Corbo
 +
*Jayanetti
  
'''(4) Laverty'''
+
'''(10) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/Zhu.mp4 Zhu]'''
 +
*Zhang
 +
*Stepanenko
 
*Jayanetti
 
*Jayanetti
*He
 
*McHugh
 
  
'''(5) Graham'''
+
'''(11) [http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/videos/He.mp4 He]'''
 +
*Stepanenko
 +
*Chakraborti
 +
*Laverty
 +
 
 +
'''(12) Rob'''
 +
*Corbo
 +
*Guerra
 +
*Laverty
 
*Jayanetti
 
*Jayanetti
*Zhu
 
*Chakraborti
 
  
'''(6) McHugh'''
+
'''(13) Steve'''
*Kowalski
+
*Stepanenko
 +
*Zhang
 
*Chakraborti
 
*Chakraborti
*Laverty
+
*Pak
  
 +
'''(14) Guilherme'''
 +
*Cardetti
 +
*Zhu
 +
*He
  
  
Line 212: Line 256:
 
| 2020.04.29 Wed || Online Group Study  || Project Analysis/Troubleshooting   
 
| 2020.04.29 Wed || Online Group Study  || Project Analysis/Troubleshooting   
 
|-
 
|-
| 2020.05.04 Mon || Online Group Study  || Project Analysis/Troubleshooting <br> All Video Presentations Assessment Sheets Must Emailed to Guilherme by 2:30PM <br> Each course participant will evaluate 3 video presentations the names of which will be sent to everyone individually
+
| 2020.05.04 Mon || Online Group Study  || '''[http://ringo.ams.sunysb.edu/~rizzo/StonyBrook/teaching/AMS532_AMS535_AMS536/Presentations/2020_ams.536.presentation.assessment.docx Presentation Assessment Sheets] Must Be Emailed to Guilherme by 2:30PM based on your Reviewer Assignments from above''' <br> Project Analysis/Troubleshooting
 
|-
 
|-
| 2020.05.06 Wed || '''Last Day Class'''<br> Online Group Study || Project Analysis/Troubleshooting
+
| 2020.05.06 Wed || Online Group Study || '''Last Day Class'''<br> Project Analysis/Troubleshooting
 
|-
 
|-
| 2020.05.08 Fri || '''Final Written Report due by 5PM today.'''<br> || Email electronic copy to rizzorc -at- gmail dot com and guilherme dot duarteramosmatos -at- stonybrook dot edu
+
| 2020.05.08 Fri || '''Final Written Report due by 5PM today.''' || '''Final Written Report due by 5PM today.''' <br> Please email electronic copy to rizzorc -at- gmail dot com and guilherme dot duarteramosmatos -at- stonybrook dot edu
 
|-
 
|-
 
|}
 
|}

Latest revision as of 15:29, 27 April 2020

THIS IS A REVISED SYLLABUS, PLEASE SEE REVISED SYLLABUS NOTES BELOW
THIS IS A REVISED SYLLABUS, PLEASE SEE REVISED SYLLABUS NOTES BELOW
THIS IS A REVISED SYLLABUS, PLEASE SEE REVISED SYLLABUS NOTES BELOW
THIS IS A REVISED SYLLABUS, PLEASE SEE REVISED SYLLABUS NOTES BELOW


Supervisor Dr. Robert C. Rizzo [631-632-9340, robert dot rizzo -at- stonybrook.edu]
Instructor Dr. Guilherme Duarte Ramos Matos [631-632-8519, guilherme dot duarteramosmatos -at- stonybrook dot edu]
Teaching Assistant Steve Telehany [631-632-8519, stephen dot telehany - at - stonybrook dot edu]
Course No. AMS-536 / CHE-536
Location/Time Math Tower, Room S235 (COMPUTER LAB next to SINC site), Mon/Wed 2:30PM - 3:50PM
Office Hours By appointment, Math Tower, Room 3-129, Dept. of Applied Math & Statistics
Acknowledgments The AMS-536 instructors would like to thank:

(1) Chemical Computing Group at http://www.chemcomp.com for generously providing MOE software teaching licenses
(2) Firat Coskun and the LI-RED and SEAWULF team for cluster support
(3) Pat Tonra for Mathlab support
(4) Victor Poon for other computational support

Grading Grades will be based on the quality of:

(1) attendance, participation in class discussion, wiki tutorial construction, assisting others (25%)
(2) oral presentations (25%)
(3) final written report (50%)



Revised Syllabus Notes

As a result of the COVID-19 outbreak the course syllabus has been revised per University guidelines to address the semester being shortened by one week and document changes necessary to teach the course online for the rest of the semester. A brief summary of the changes include:


(0) The course grading criteria has been modified (see grading breakdown above).
(1) The schedule has been revised starting March 23 2020.
(2) We will continue to hold class at the regularly scheduled time however this will now be done online via the Zoom program ( https://it.stonybrook.edu/services/zoom ).
(3) AMBER tutorials are being prerecorded by the Instructors and will be uploaded as appropriate into the course schedule as online videos.
(4) AMBER tutorials should be viewed online before each relevant Zoom meetings so that meeting time can be spent troubleshooting and providing other guidance as necessary for class tutorials.
(5) Class time normally devoted to watching and evaluating Oral Presentations will instead be used for Zoom meetings devoted to troubleshooting and providing other guidance as necessary for Class Projects.
(6) Oral Presentations of Class Projects will be recorded by each participant individually (see Recording Your Oral Presentation Using Zoom section below), at home, and then emailed to the Instructors (see Video Presentation due date below).
(7) Oral Presentations of Class Projects will be evaluated by 3 course participants and a Presentation Assessment Sheet for each talk evaluated will be submitted based on the Reviewer Assignments outlined below.
(8) The Student Accessibility Support Center Statement (see below) has been updated
(9) A Faculty Technical Support Statement (see below) has been added

Project Information

Student Project Proposal OHARE Sheet


Oral Presentation Guidelines: These meetings should be formal and your chance to tell a complete story. Talks should be presented in PPT format and be between 20 and 30 minutes long. The purpose of your talks is for you to clearly and concisely present your overall progress to date including appropriate background material and interpretation of your results. Check our guidelines on how not to make a presentation. Talks should be arranged in the following order:

  • Introduction/Background (include biological relevance)
  • Specifics of Your System
  • Computational Details (theory)
  • Computational Details (system setup)
  • Results and Discussion (include a critical interpretation of your results)
  • Conclusions
  • Future
  • Acknowledgments


Recording Your Oral Presentation Using Zoom: It is very straightforward to create a video of yourself giving a PPT presentation using Zoom:

  • Download the Zoom app ( https://it.stonybrook.edu/services/zoom )
  • Open the Zoom app
  • Create a new Zoom meeting with only yourself (make sure audio and video are turned on)
  • Share your screen
  • Open your presentation in PPT and put in presentation mode
  • Start recording and give a short test presentation to make sure that everything is working smoothly (use mouse as necessary to highlight specific regions of your slides)
  • Stop recording and quit the meeting
  • Open the newly created video (using QuickTime or some other video player) to make sure that your test presentation has both audio and video and looks good
  • Follow the above steps to create your "full-length" video presentation (videos should not exceed 20 minutes)
  • Email your video to the Instructors who will make it available to the class (please name your Zoom video Lastname.mp4)


Final Written Report Guidelines and Example Final Papers: Written project guidelines and example papers to use as a guide are provided below.


Tutorials, Software Links, and Other Relevant Class Information

Schedule

  • Please note that a doctor's excuse will be required if you miss your scheduled oral presentation date because of illness.


Date Participant Notes
SECTION 1: COMPUTING INFRASTRUCTURE AND TOOLS
2020.01.27 Mon Group Study First Day of Class
Seawulf accounts setup
unix / vim / csh introduction
Discuss presentations and final projects (OHARE sheets)
2020.01.29 Wed Group Study Seawulf accounts setup
unix / vim / csh introduction
Visualization demo's Chimera and VMD
2020.02.03 Mon Group Study Seawulf accounts setup
unix / vim / csh introduction
Visualization demo's Chimera and VMD
2020.02.05 Wed Group Study Seawulf accounts setup
unix / vim / csh introduction
Visualization demo's Chimera and VMD
2020.02.10 Mon Group Study Seawulf queuing system
2020.02.12 Wed Group Study Seawulf queuing system
Ethics in Writing (Rob)
SECTION 2: DOCK TUTORIAL see Joe Allen DOCK slides
2020.02.17 Mon Group Study Draft Student Project Proposal OHARE Sheet Due
Tutorials: DOCK virtual screening
individual project discussion
2020.02.19 Wed Group Study Tutorials: DOCK virtual screening
individual project discussion
2020.02.24 Mon Group Study Final Student Project Proposal OHARE Sheet Due
Tutorials: DOCK virtual screening
individual project discussion
2020.02.26 Wed Group Study Tutorials: DOCK virtual screening
individual project discussion
2020.03.02 Mon Group Study Tutorials: DOCK virtual screening
individual project discussion
2020.03.04 Wed Group Study Tutorials: DOCK virtual screening
individual project discussion
2020.03.09 Mon Group Study Tutorials: DOCK de novo design
individual project discussion
2020.03.11 Wed Group Study Tutorials: DOCK de novo design
individual project discussion
2020.03.16 Mon Spring Recess Spring Recess
2020.03.18 Wed Spring Recess Spring Recess
REVISED SCHEDULE BEGINS HERE REVISED SCHEDULE BEGINS HERE
2020.03.23 Mon Extended Spring Recess Extended Spring Recess
Please make sure that the Zoom program is up and running on your home computer
https://it.stonybrook.edu/services/zoom
2020.03.25 Wed Extended Spring Recess Extended Spring Recess
Please make sure that the Zoom program is up and running on your home computer
https://it.stonybrook.edu/services/zoom
SECTION 3: AMBER TUTORIAL see Lingling Jiang AMBER slides
see Steve Telehaney slides
2020.03.30 Mon Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #1
individual project discussion
2020.04.01 Wed Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #2.1
see AMBER Video #2.2
see AMBER Video #2.3
individual project discussion
2020.04.06 Mon Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #3.1
see AMBER Video #3.2
individual project discussion
2020.04.08 Wed Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #4.1
see AMBER Video #4.2
see AMBER Video #4.3
individual project discussion
2020.04.13 Mon Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #5
individual project discussion
2020.04.15 Wed Online Group Study Tutorials: AMBER molecular dynamics
see AMBER Video #6
individual project discussion
SECTION 4: CLASS PROJECTS
2020.04.20 Mon Online Group Study Draft Paper Due
Project Analysis/Troubleshooting
2020.04.22 Wed Online Group Study Project Analysis/Troubleshooting
2020.04.27 Mon Online Group Study Video Presentations of Class Projects Must be Emailed to Guilherme by 2:30PM (please name files as "Lastname.mp4")
Project Analysis/Troubleshooting

Each course participant will watch and evaluate 3 Presentations (~ 20 minutes each) based on the Reviewer Assignment schedule below and submit a Presentation Assessment Sheet for each Video (due 1 week from today). Instructors will evaluate 3-4 presentations each.


(1) Corbo

  • Guerra
  • Zhu
  • Stepanenko

(2) Guerra

  • Chakraborti
  • Zhang
  • Pak

(3) Laverty

  • Jayanetti
  • Cardetti
  • Guerra

(4) Jayanetti

  • He
  • Corbo
  • Pak

(5) Stepanenko

  • He
  • Cardetti
  • Zhu

(6) Zhang

  • Chakraborti
  • Corbo
  • Laverty

(7) Chakraborti

  • Guerra
  • Pak
  • Zhu

(8) Pak

  • He
  • Laverty
  • Cardetti

(9) Cardetti

  • Zhang
  • Corbo
  • Jayanetti

(10) Zhu

  • Zhang
  • Stepanenko
  • Jayanetti

(11) He

  • Stepanenko
  • Chakraborti
  • Laverty

(12) Rob

  • Corbo
  • Guerra
  • Laverty
  • Jayanetti

(13) Steve

  • Stepanenko
  • Zhang
  • Chakraborti
  • Pak

(14) Guilherme

  • Cardetti
  • Zhu
  • He


2020.04.29 Wed Online Group Study Project Analysis/Troubleshooting
2020.05.04 Mon Online Group Study Presentation Assessment Sheets Must Be Emailed to Guilherme by 2:30PM based on your Reviewer Assignments from above
Project Analysis/Troubleshooting
2020.05.06 Wed Online Group Study Last Day Class
Project Analysis/Troubleshooting
2020.05.08 Fri Final Written Report due by 5PM today. Final Written Report due by 5PM today.
Please email electronic copy to rizzorc -at- gmail dot com and guilherme dot duarteramosmatos -at- stonybrook dot edu



GENERAL INFORMATION: AMS-536 is designed for students who wish to gain hands-on experience modeling biological molecules at the atomic level. In conjunction with the participants' interest, Molecular Mechanics, molecular dynamics, Monte Carlo, Docking (virtual screening), or Quantum Mechanics software packages will be used. Projects will include setup, execution, and analysis. Students will work on individual projects outside of class. Course participants will give presentations relevant to the simulations being performed and a final project report will be required. Grades will be based on the quality of the talks, participation in class discussion, attendance, and the final written report. Familiarity with working in a Unix (Linux) environment is desirable.


Learning Obectives:

  • (1) Gain hands-on experience modeling biological molecules at the atomic level.
  • (2) Learn to navigate linx/unix operating system
  • (3) Learn shell scripting and text-based editing (vim program)
  • (4) Learn to use a linux-based computing cluster that has a queuing system
  • (5) Learn to use visualization software (Chimera, MOE, and VMD programs)
  • (6) Setup, execute, and analyze docking (DOCK) and molecular dynamics (AMBER) tutorials.
  • (7) Give oral presentations on individual research projects which includes:
    • (i) Introduction/Background (include biological relevance)
    • (ii) Specifics of Your System
    • (iii) Computational Details (theory)
    • (iv) Computational Details (system setup)
    • (v) Results and Discussion (include a critical interpretation of your results)
    • (vi) Conclusions
    • (vii) Future
    • (viii) Acknowledgments
  • (8) Write a polished well-referenced manuscript in the format of a peer-reviewed Journal Article.


LITERATURE DISCLAIMER: Hyperlinks and manuscripts accessed through Stony Brook University's electronic journal subscriptions are provided below for educational purposes only.


PRESENTATION DISCLAIMER: Presentations may contain slides from a variety of online sources for educational and illustrative purposes only, and use here does not imply that the presenter is claiming that the contents are their own original work or research.


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