Annual Reports in Computational Chemistry
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Index

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03015-0 ◽

2007 ◽

pp. 229-232

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Chapter 3 Fishing for Functional Motions with Elastic Network Models

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03003-4 ◽

2007 ◽

pp. 31-39

Author(s):

A.J. Rader

Keyword(s):

Network Models ◽

Elastic Network ◽

Elastic Network Models

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Chapter 4 Alchemical Free Energy Calculations: Ready for Prime Time?

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03004-6 ◽

2007 ◽

pp. 41-59 ◽

Cited By ~ 140

Author(s):

Michael R. Shirts ◽

David L. Mobley ◽

John D. Chodera

Keyword(s):

Free Energy ◽

Free Energy Calculations ◽

Prime Time ◽

Energy Calculations ◽

Alchemical Free Energy ◽

Alchemical Free Energy Calculations

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Chapter 8 The Role of Long-Time Correlation in Dissipative Adsorbate Dynamics on Metal Surfaces

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03008-3 ◽

2007 ◽

pp. 137-151

Author(s):

Jeremy M. Moix ◽

Rigoberto Hernandez

Keyword(s):

Metal Surfaces ◽

Time Correlation ◽

Long Time

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Chapter 7 Achieving a Holistic Web in the Chemistry Curriculum

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03007-1 ◽

2007 ◽

pp. 99-133

Author(s):

Henry S. Rzepa

Keyword(s):

Chemistry Curriculum

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Chapter 5 Linear Quantitative Structure–Activity Relationships for the Interaction of Small Molecules with Human Cytochrome P450 Isoenzymes

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03005-8 ◽

2007 ◽

pp. 63-81 ◽

Cited By ~ 2

Author(s):

Thomas Fox ◽

Jan M. Kriegl

Keyword(s):

Cytochrome P450 ◽

Small Molecules ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Human Cytochrome ◽

Quantitative Structure Activity Relationships

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Chapter 9 An Active Database Approach to Complete Rotational–Vibrational Spectra of Small Molecules

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03009-5 ◽

2007 ◽

pp. 155-176 ◽

Cited By ~ 30

Author(s):

Attila G. Császár ◽

Gábor Czakó ◽

Tibor Furtenbacher ◽

Edit Mátyus

Keyword(s):

Small Molecules ◽

Vibrational Spectra ◽

Active Database

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Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03010-1 ◽

2007 ◽

pp. 177-193 ◽

Cited By ~ 146

Author(s):

Mark S. Gordon ◽

Lyudmilla Slipchenko ◽

Hui Li ◽

Jan H. Jensen

Keyword(s):

Intermolecular Interactions ◽

Effective Fragment Potential ◽

General Method

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Contributors

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03014-9 ◽

2007 ◽

pp. ix-xi

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Chapter 12 Principles of G-Protein Coupled Receptor Modeling for Drug Discovery

Annual Reports in Computational Chemistry ◽

10.1016/s1574-1400(07)03012-5 ◽

2007 ◽

pp. 209-227 ◽

Cited By ~ 1

Author(s):

Irache Visiers

Keyword(s):

Drug Discovery ◽

G Protein ◽

Receptor Modeling ◽

G Protein Coupled Receptor ◽

G Protein Coupled

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