3D QSAR in Drug Design
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8

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2

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Published By Springer Netherlands

9780792347903, 9780306468575

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Some Biological Applications of Semiempirical MO Theory

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_8 ◽

2002 ◽

pp. 131-159 ◽

Author(s):

Bernd Beck ◽

Timothy Clark

Keyword(s):

Biological Applications ◽

Semiempirical Mo Theory ◽

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Binding Affinities and Non-Bonded Interaction Energies

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_6 ◽

2002 ◽

pp. 99-114 ◽

Author(s):

Ronald M. A. Knegtel ◽

Peter D. J. Grootenhuis

Keyword(s):

Binding Affinities ◽

Interaction Energies

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Explicit Calculation of 3D Molecular Similarity

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_17 ◽

2002 ◽

pp. 321-338 ◽

Author(s):

Andrew C. Good ◽

W.Graham Richards

Keyword(s):

Molecular Similarity ◽

Explicit Calculation

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Density-Functional Theory Investigations of Enzyme-substrate Interactions

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_10 ◽

2002 ◽

pp. 169-179

Author(s):

Paolo Carloni ◽

Frank Alber

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Substrate Interactions ◽

Enzyme Substrate ◽

Enzyme Substrate Interactions

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Novel Software Tools for Chemical Diversity

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_18 ◽

2002 ◽

pp. 339-353 ◽

Author(s):

Robert S. Pearlman ◽

K. M. Smith

Keyword(s):

Software Tools ◽

Chemical Diversity

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Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_16 ◽

2002 ◽

pp. 301-320

Author(s):

David A. Thorner ◽

David J. Wild ◽

Peter Willett ◽

P. Matthew Wright

Keyword(s):

Structural Similarity ◽

Electrostatic Potentials ◽

Molecular Electrostatic Potentials

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Molecular Mechanics Calculations on Protein-Ligand Complexes

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_7 ◽

2002 ◽

pp. 115-127 ◽

Author(s):

Irene T. Weber ◽

Robert W. Harrison

Keyword(s):

Molecular Mechanics ◽

Molecular Mechanics Calculations

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Molecular Dynamics Simulations: A Tool for Drug Design

3D QSAR in Drug Design ◽

10.1007/0-306-46857-3_11 ◽

2002 ◽

pp. 181-209

Author(s):

Didier Rognan

Keyword(s):

Molecular Dynamics ◽

Drug Design ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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