Time: Tue, July 13, 9:00 am - noon
Place: Biotech Park I (medical campus) Suite 212
Organizers: Glen Kellogg and Jason Rife
Audience: Primarily 1st year

Topics

• Recreation of analysis leading to featured article (cont.)

Resources of session

• Reading: Computational Titration Analysis of a Multiprotic HIV-1 Protease-Ligand Complex. Spyrakis F, Fornabaio M, CozziniP, Mozzarelli A, Abraham DJ, Kellogg GE (2004). Accepted for publication.
• Reading: Simple, Intuitive Calculations of Free Energy of Binding for Protein-Ligand Complexes. 1. Models without Explicit Constrained Water. Cozzini P, Fornabaio M, Marabotti A, Abraham DJ, Kellogg GE, Mozzarelli A (2002). J Med Chem 45:2469-2483.

Before coming to the session

• Please review Glen's seminar (HIV1 protease part) by going through the online preprint
• Please look at Cozzini et al, an application of HINT to another protein. If it makes sense to you, pursue it. Otherwise don't worry.
  
  

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