Search Result "local move Monte Carlo sampling"


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

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

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

Protein Flexibility and Ligand Recognition: Challenges for Molecular Modeling

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 192-210
Author(s): Francesca Spyrakis, Axel BidonChanal, Xavier Barril, F. Javier Luque

Observability and Optimal Sensor Placement

Journal: International Journal of Sensors, Wireless Communications and Control
Volume: 1 Issue: 2 Year: 2011 Page: 93-101
Author(s): Wei Kang,Liang Xu

Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Holes? (Guest Editors: Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar and Glen E. Kellogg)]

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 131-132
Author(s): Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar, Glen E. Kellogg

Multiscale Molecular Dynamics of Protein Aggregation

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa

Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 179-191
Author(s): Christoph A. Sotriffer

Taxotere Chemosensitivity Evaluation in Rat Breast Tumor by Multimodal Imaging: Quantitative Measurement by Fusion of MRI, PET Imaging with MALDI and Histology

Journal: Recent Patents on Medical Imaging
Volume: 1 Issue: 2 Year: 2011 Page: 152-164
Author(s): Rakesh Sharma, Jose K. Katz

Accommodating Protein Flexibility for Structure-Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 171-178
Author(s): Jung-Hsin Lin

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