Quantitative computer simulations of biomolecules: A snapshot

: A recent workshop titled ‘‘Quantitative Computational Biophysics’’ at Florida State University provided an overview of the state of the art in quantitative modeling of biomolecular systems. The presentations covered a wide range of interrelated topics, including the development and validation of force fields, the modeling of protein– protein interactions, the sampling of conformational space, and the assessment of equilibration and statistical errors. Substantial progress in all these areas was reported. q 2007 Wiley Periodicals, Inc. J Comput Chem 29: 668–672, 2008 Key words: improved MD force fields; enhanced sampling; protein–protein interactions; statistical convergence

• Type: Journal
• Year: 2007
• Where: JCC
• Authors: Wei Yang, Hugh Nymeyer, Huan-Xiang Zhou, Bernd A. Berg, Rafael Brüschweiler
• Keywords: Florida State University, JCC 2007, Protein– Protein Interactions, ‘‘quantitative Computational Biophysics