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A molecular dynamics ensemble-based approach for the mapping of druggable binding sites / Anthony Ivetac and J. Andrew McCammon Analysis of protein binding sites by computational solvent mapping / David R. Hall, Dima Kozakov, and Sandor Vajda Evolutionary trace for prediction and redesign of protein functional sites / Angela Wilkins ... [et al.] Information entropic functions for molecular descriptor profiling / Anne Mai Wassermann ... [et al.] Expanding the conformational selection paradigm in protein-ligand docking / Guray Kuzu ... [et al.] Flexibility analysis of biomacromolecules with application to computer-aided drug design / Simone Fulle and Holger Gohlke On the use of molecular dynamics receptor conformations for virtual screening / Sara E. Nichols, Riccardo Baron, and J. Andrew McCammon Virtual ligand screening against comparative protein structure models / Hao Fan, John J. Irwin, and Andrej Sali AMMOS software : method and application / Tania Pencheva ... [et al.] Rosetta ligand docking with flexible XML protocols / Gordon Lemmon and Jens Meiler Normal mode-based approaches in receptor ensemble docking / Claudio N. Cavasotto Application of conformational clustering in pr

Author

Baron, Riccardo

Publisher

Springer New York

Published

2012

Language

EN

ISBN

9781617794650