3D QSAR in Drug Design
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Published By Springer Netherlands

9780792347903, 9780306468575
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Binding Affinities and Non-Bonded Interaction Energies

2002 ◽  
pp. 99-114 ◽  
Author(s):  
Ronald M. A. Knegtel ◽  
Peter D. J. Grootenhuis
Keyword(s):  
Binding Affinities ◽  
Interaction Energies

Explicit Calculation of 3D Molecular Similarity

2002 ◽  
pp. 321-338 ◽  
Author(s):  
Andrew C. Good ◽  
W.Graham Richards
Keyword(s):  
Molecular Similarity ◽  
Explicit Calculation

Novel Software Tools for Chemical Diversity

2002 ◽  
pp. 339-353 ◽  
Author(s):  
Robert S. Pearlman ◽  
K. M. Smith
Keyword(s):  
Software Tools ◽  
Chemical Diversity

Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials

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

Molecular Mechanics Calculations on Protein-Ligand Complexes

2002 ◽  
pp. 115-127 ◽  
Author(s):  
Irene T. Weber ◽  
Robert W. Harrison
Keyword(s):  
Molecular Mechanics ◽  
Molecular Mechanics Calculations
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