Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery
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Published By Royal Society Of Chemistry

9781849733533

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Front Matter

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-fp001 ◽

2012 ◽

pp. FP001-FP004

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Chapter 6. Pharmacophore Models in Drug Design

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00151 ◽

2012 ◽

pp. 151-170

Author(s):

Valerie J. Gillet

Keyword(s):

Drug Design ◽

Pharmacophore Models

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Chapter 2. Thermodynamics of Ligand Binding

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00023 ◽

2012 ◽

pp. 23-79 ◽

Cited By ~ 4

Author(s):

György G. Ferenczy* ◽

György M. Keseru*

Keyword(s):

Ligand Binding

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Chapter 11. Enhanced Sampling Methods in Drug Design

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00273 ◽

2012 ◽

pp. 273-301 ◽

Cited By ~ 7

Author(s):

Walter Rocchia* ◽

Matteo Masetti ◽

Andrea Cavalli*

Keyword(s):

Drug Design ◽

Sampling Methods ◽

Enhanced Sampling

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Chapter 12. Expanding the Target Space: Druggability Assessments

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00302 ◽

2012 ◽

pp. 302-318

Author(s):

Peter Schmidtke ◽

Daniel Alvarez-garcia ◽

Jesus Seco ◽

Xavier Barril*

Keyword(s):

Target Space

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Chapter 8. Binding Free Energy Calculation and Scoring in Small-Molecule Docking

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00195 ◽

2012 ◽

pp. 195-222 ◽

Cited By ~ 5

Author(s):

Claudio N. Cavasotto

Keyword(s):

Free Energy ◽

Small Molecule ◽

Binding Free Energy ◽

Free Energy Calculation ◽

Energy Calculation ◽

Binding Free Energy Calculation ◽

Molecule Docking

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Chapter 15. Computer-Assisted Design of Drug-Like Synthetic Libraries

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00372 ◽

2012 ◽

pp. 372-399

Author(s):

P. Seneci ◽

V. Frecer ◽

S. Miertus*

Keyword(s):

Computer Assisted ◽

Computer Assisted Design

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Chapter 4. Bioavailability Prediction at Early Drug Discovery Stages: In Vitro Assays and Simple Physico-Chemical Rules

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00104 ◽

2012 ◽

pp. 104-127 ◽

Cited By ~ 1

Author(s):

Jordi Munoz-muriedas

Keyword(s):

Drug Discovery ◽

In Vitro Assays ◽

Physico Chemical ◽

Early Drug

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Chapter 3. Continuum Solvation in Biomolecular Systems

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-00080 ◽

2012 ◽

pp. 80-103 ◽

Cited By ~ 1

Author(s):

Traian Sulea ◽

Enrico O. Purisima*

Keyword(s):

Continuum Solvation ◽

Biomolecular Systems

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Preface

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery ◽

10.1039/9781849735377-fp005 ◽

2012 ◽

pp. FP005-FP013

Author(s):

F. Javier Luque ◽

Xavier Barril

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Drug Discovery - Physico-Chemical and Computational Approaches to Drug DiscoveryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Front Matter

Chapter 6. Pharmacophore Models in Drug Design

Chapter 2. Thermodynamics of Ligand Binding

Chapter 11. Enhanced Sampling Methods in Drug Design

Chapter 12. Expanding the Target Space: Druggability Assessments

Chapter 8. Binding Free Energy Calculation and Scoring in Small-Molecule Docking

Chapter 15. Computer-Assisted Design of Drug-Like Synthetic Libraries

Chapter 4. Bioavailability Prediction at Early Drug Discovery Stages: In Vitro Assays and Simple Physico-Chemical Rules

Chapter 3. Continuum Solvation in Biomolecular Systems

Preface

Drug Discovery - Physico-Chemical and Computational Approaches to Drug Discovery
Latest Publications