Methods in Molecular Biology - Computational Drug Discovery and Design
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Published By Springer New York

9781617794643, 9781617794650

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Estimation of Conformational Entropy in Protein–Ligand Interactions: A Computational Perspective

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_21 ◽

2011 ◽

pp. 327-353 ◽

Cited By ~ 21

Author(s):

Anton A. Polyansky ◽

Ruben Zubac ◽

Bojan Zagrovic

Keyword(s):

Conformational Entropy ◽

Protein Ligand Interactions ◽

Computational Perspective ◽

Ligand Interactions

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Using Metadynamics and Path Collective Variables to Study Ligand Binding and Induced Conformational Transitions

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_29 ◽

2011 ◽

pp. 501-513 ◽

Cited By ~ 15

Author(s):

Neva Bešker ◽

Francesco L. Gervasio

Keyword(s):

Ligand Binding ◽

Conformational Transitions ◽

Collective Variables

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High-Throughput Virtual Screening Lead to Discovery of Non-Peptidic Inhibitors of West Nile Virus NS3 Protease

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_36 ◽

2011 ◽

pp. 615-623 ◽

Cited By ~ 1

Author(s):

Danzhi Huang

Keyword(s):

West Nile Virus ◽

Virtual Screening ◽

High Throughput ◽

West Nile ◽

Peptidic Inhibitors ◽

Ns3 Protease ◽

High Throughput Virtual Screening

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Guide to Virtual Screening: Application to the Akt Phosphatase PHLPP

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_33 ◽

2011 ◽

pp. 561-573 ◽

Cited By ~ 3

Author(s):

William Sinko ◽

Emma Sierecki ◽

César A. F. de Oliveira ◽

J. Andrew McCammon

Keyword(s):

Virtual Screening

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How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_13 ◽

2011 ◽

pp. 187-195 ◽

Cited By ~ 5

Author(s):

Andrew J. Christofferson ◽

Niu Huang

Keyword(s):

Virtual Screening ◽

Compound Libraries ◽

Large Compound

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Linear Interaction Energy: Method and Applications in Drug Design

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_20 ◽

2011 ◽

pp. 305-323 ◽

Cited By ~ 53

Author(s):

Hugo Gutiérrez-de-Terán ◽

Johan Åqvist

Keyword(s):

Drug Design ◽

Interaction Energy ◽

Energy Method ◽

Linear Interaction ◽

Linear Interaction Energy

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AGGRESCAN: Method, Application, and Perspectives for Drug Design

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_14 ◽

2011 ◽

pp. 199-220 ◽

Cited By ~ 42

Author(s):

Natalia S. de Groot ◽

Virginia Castillo ◽

Ricardo Graña-Montes ◽

Salvador Ventura

Keyword(s):

Drug Design

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AMMOS Software: Method and Application

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_9 ◽

2011 ◽

pp. 127-141 ◽

Cited By ~ 1

Author(s):

T. Pencheva ◽

D. Lagorce ◽

I. Pajeva ◽

B. O. Villoutreix ◽

M. A. Miteva

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Normal Mode-Based Approaches in Receptor Ensemble Docking

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_11 ◽

2011 ◽

pp. 157-168 ◽

Cited By ~ 15

Author(s):

Claudio N. Cavasotto

Keyword(s):

Normal Mode ◽

Ensemble Docking

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Evolutionary Trace for Prediction and Redesign of Protein Functional Sites

Methods in Molecular Biology - Computational Drug Discovery and Design ◽

10.1007/978-1-61779-465-0_3 ◽

2011 ◽

pp. 29-42 ◽

Cited By ~ 43

Author(s):

Angela Wilkins ◽

Serkan Erdin ◽

Rhonald Lua ◽

Olivier Lichtarge

Keyword(s):

Functional Sites ◽

Evolutionary Trace

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Methods in Molecular Biology - Computational Drug Discovery and DesignLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer New York

Estimation of Conformational Entropy in Protein–Ligand Interactions: A Computational Perspective

Using Metadynamics and Path Collective Variables to Study Ligand Binding and Induced Conformational Transitions

High-Throughput Virtual Screening Lead to Discovery of Non-Peptidic Inhibitors of West Nile Virus NS3 Protease

Guide to Virtual Screening: Application to the Akt Phosphatase PHLPP

How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries

Linear Interaction Energy: Method and Applications in Drug Design

AGGRESCAN: Method, Application, and Perspectives for Drug Design

AMMOS Software: Method and Application

Normal Mode-Based Approaches in Receptor Ensemble Docking

Evolutionary Trace for Prediction and Redesign of Protein Functional Sites

Methods in Molecular Biology - Computational Drug Discovery and Design
Latest Publications