- Online First™
Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set
Jens Reinisch, Andreas Klamt and Michael Diedenhofen
Online First™, 13 May 2012
- Online First™
Predicting the effects of amino acid replacements in peptide hormones on their binding affinities for class B GPCRs and application to the design of secretin receptor antagonists
Jerez A. Te, Maoqing Dong, Laurence J. Miller and Andrew J. Bordner
Online First™, 11 May 2012
- Online First™
Docking performance of the glide program as evaluated on the Astex and DUD datasets: a complete set of glide SP results and selected results for a new scoring function integrating WaterMap and glide
Matthew P. Repasky, Robert B. Murphy, Jay L. Banks, Jeremy R. Greenwood and Ivan Tubert-Brohman, et al.
Online First™, 11 May 2012
- Online First™
Evaluation of DOCK 6 as a pose generation and database enrichment tool
Scott R. Brozell, Sudipto Mukherjee, Trent E. Balius, Daniel R. Roe and David A. Case, et al.
Online First™, 9 May 2012
- Online First™
Lead Finder docking and virtual screening evaluation with Astex and DUD test sets
Fedor N. Novikov, Viktor S. Stroylov, Alexey A. Zeifman, Oleg V. Stroganov and Val Kulkov, et al.
Online First™, 9 May 2012
- Online First™
Docking and scoring with ICM: the benchmarking results and strategies for improvement
Marco A. C. Neves, Maxim Totrov and Ruben Abagyan
Online First™, 9 May 2012
- Online First™
Surflex-Dock: Docking benchmarks and real-world application
Russell Spitzer and Ajay N. Jain
Online First™, 9 May 2012
- Online First™Open Access
Variability in docking success rates due to dataset preparation
Christopher R. Corbeil, Christopher I. Williams and Paul Labute
Online First™, 8 May 2012
- Online First™
Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores
Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti and Zheng Zheng, et al.
Online First™, 5 April 2012
- Online First™
The SAMPL3 blind prediction challenge: transfer energy overview
Matthew T. Geballe and J. Peter Guthrie
Online First™, 2 April 2012