2010 AMS-536 Spring

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Instructor Dr. Robert C. Rizzo [631-632-8519, rizzorc@gmail.com]
Course No. AMS-536 / CHE-536
Location/Time Math Tower, Room S235 (COMPUTER LAB next to SINC site), Mon/Wed 3:50PM - 5:10PM
Office Hours Anytime or by appointment, Room 1-101, Dept. of Applied Math & Statistics
Teaching Assistant Sudipto Mukherjee, Room 3-129, 2-8519, Dept. of Applied Math & Statistics


Project Information

Project Approval Sheet


Oral Presentation Guidlines: These meetings should be formal and your chance to tell a complete story. Talks should be presented in PPT format and be 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. 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


Final Report Guidelines and Example Final Papers


Tutorials, Software Links, and Other Relevant Class Information


Schedule

Note: Each participant please update the Wiki as required with the title of your talk.


Date Participant Talk
2010.01.25 First Day of Class
Group Study
Organizational Meeting / Mathlab accounts
2010.01.27 Group Study Visualization software #1, Misc unix skills
VMD, MOE, Chimera, vi, general unix cmds, shell scripting
2010.02.01 Group Study Visualization software #2, Misc unix skills
VMD, MOE, Chimera, vi, general unix cmds, shell scripting
Seawulf accounts
2010.02.03 Group Study Visualization software #3, Misc unix skills
VMD, MOE, Chimera, vi, general unix cmds, shell scripting
Seawulf accounts
2010.02.08 Group Study Tutorials: Group 1=DOCK, Group 2=AMBER
project discussion
2010.02.10 Group Study Tutorials: Group 1=DOCK, Group 2=AMBER
project discussion
2010.02.15 Group Study Tutorials: Group 1=DOCK, Group 2=AMBER
project discussion
2010.02.17 Group Study Tutorials: Group 1=DOCK, Group 2=AMBER
project discussion
2010.02.22 Group Study Tutorials: Group 1=AMBER, Group 2=DOCK
project discussion
2010.02.24 Group Study Tutorials: Group 1=AMBER, Group 2=DOCK
project discussion
2010.03.01 Group Study Tutorials: Group 1=AMBER, Group 2=DOCK
project discussion
2010.03.03 Group Study Tutorials: Group 1=AMBER, Group 2=DOCK
project discussion
2010.03.08 Group Study Project Setups / Troubleshooting
2010.03.10 Group Study Project Setups / Troubleshooting
2010.03.15 Group Study Project Setups / Troubleshooting
2010.03.17 Group Study Project Setups / Troubleshooting
2010.03.22 Group Study Project Setups / Troubleshooting
2010.03.24 Group Study Project Setups / Troubleshooting
2010.03.29 SPRING BREAK NO CLASS
2010.03.31 SPRING BREAK NO CLASS
2010.04.05 Adler, Jeremy; Chang, Andrew Talk Title ; Talk Title
2010.04.07 Cheglikov, Alex; Cheng-Tsung, Eric The design of novel modulators of actin assembly; Interaction between InhA and it's inhibitors
2010.04.12 Gorgani, Farzan; Hauser, Kevin; Talk Title ; mTER
2010.04.14 Jiang, Lingling; Kirkup, Colleen Pharmacophore modeling based on Docking and MD for the inhibition of Gp41 ; Talk Title
2010.04.19 Li, Haoquan; Neckles, Carla Talk Title ; Computational Studies of Thiolactomycin and KasA from the FASII Pathway in Mycobacterium tuberculosis
2010.04.21 Preliminary Report Due
Adler, Jeremy; Chang, Andrew
Talk Title ; Talk Title
2010.04.26 Cheglikov, Alex; Cheng-Tsung, Eric Talk Title ; Interaction between InhA and it's inhibitors
2010.04.28 Gorgani, Farzan; Hauser, Kevin; determining the conformation of changes of hnox ; Mechanics and Dynamics of a Mitochondrial Transcription Terminator
2010.05.03 Jiang, Lingling; Kirkup, Colleen Pharmacophore modeling based on Docking and MD for the inhibition of Gp41; Talk Title
2010.05.05 Last Day of Class
Li, Haoquan; Neckles, Carla
Early Stages of Damage Recognition of human 8-oxoguanine glycosylase; Computational Studies of Thiolactomycin and KasA from the FASII Pathway in Mycobacterium tuberculosis
2010.05.12 Final written report due by 5PM, May 12, 2010. Late papers will not be accepted. See above for sample reports and detailed guidelines. Give hard copy to Sudipto Mukherjee (Math Tower room 3-129) and email electronic copy to rizzorc@gmail.com