Search Result "local move Monte Carlo sampling"


A Parallel Systematic-Monte Carlo Algorithm for Exploring Conformational Space

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2012 Page: 1790-1796
Author(s): Yasset Perez-Riverol, Roberto Vera, Yuliet Mazola, Alexis Musacchio

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 146-157
Author(s): Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei, Meng Cui

Conformational Sampling Techniques

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 2 Year: 2014 Page: 3303-3313
Author(s): Marcus P. D. Hatfield, Sandor Lovas

Thermal Motions of the E. coli Glucose-Galactose Binding Protein Studied Using Well-Sampled Semi-Atomistic Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 211-220
Author(s): D. J. Cashman, A. B. Mamonov, D. Bhatt, D. M. Zuckerman

Local Protein Structures

Journal: Current Bioinformatics
Volume: 2 Issue: 3 Year: 2007 Page: 165-202
Author(s): Bernard Offmann, Manoj Tyagi, Akexandre G. de Brevern

What Can We Learn from Single Molecule Trajectories?

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 8 Year: 2011 Page: 714-724
Author(s): Verena Ruprecht, Markus Axmann, Stefan Wieser, Gerhard J. Schutz

Conformational Sampling and Energetics of Drug-Like Molecules

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2009 Page: 3381-3413
Author(s): Nicolas Foloppe, I-Jen Chen

Elucidating Allosteric Communications in Proteins via Computational Methods

Ebook: Frontiers in Computational Chemistry

Volume: 3 Year: 2017
Author(s): Burak Alakent,Z. Nevin Gerek Ince
Doi: 10.2174/9781681081670117030006

Membrane Deformation at Integrin Adhesions

Journal: Current Pharmaceutical Biotechnology
Volume: 10 Issue: 5 Year: 2009 Page: 508-514
Author(s): Erdinc Atilgan, Ben Ovryn

Review Article

In Silico Studies in Drug Research Against Neurodegenerative Diseases

Journal: Current Neuropharmacology
Volume: 16 Issue: 6 Year: 2018 Page: 664-725
Author(s): Farahnaz Rezaei Makhouri,Jahan B. Ghasemi

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