Volume 9, Issue 0

Perspectives in Drug Discovery and Design is now archived and no longer receiving submissions with this publisher. All articles published in the journal during its time with Springer will remain fully searchable through our websites.

Search all Perspectives in Drug Discovery and Design articles

January 1998

21 articles in this issue

Preface
Hugo Kubinyi
Gerd Folkers
Yvonne C. Martin
OriginalPaper Pages: V - VII
Progress in force-field calculations of molecular interaction fields and intermolecular interactions
Tommy Liljefors
OriginalPaper Pages: 3 - 17
Comparative binding energy analysis
Rebecca C. Wade
Angel R. Ortiz
Federico Gago
OriginalPaper Pages: 19 - 34
Receptor-based prediction of binding affinities
Tudor I. Oprea
Garland R. Marshall
OriginalPaper Pages: 35 - 61
A priori prediction of ligand affinity by energy minimization
M. Katharine Holloway
OriginalPaper Pages: 63 - 84
Rapid estimation of relative binding affinities of enzyme inhibitors
M. Rami Reddy
Velarkad N. Viswanadhan
M.D. Erion
OriginalPaper Pages: 85 - 98
Binding affinities and non-bonded interaction energies
Ronald M.A. Knegtel
Peter D.J. Grootenhuis
OriginalPaper Pages: 99 - 114
Molecular mechanics calculations on protein-ligand complexes
Irene T. Weber
Robert W. Harrison
OriginalPaper Pages: 115 - 127
Some biological applications of semiempirical MO theory
Bernd Beck
Timothy Clark
OriginalPaper Pages: 131 - 159
Density-functional theory and molecular dynamics: a new perspective for simulations of biological systems
Wanda Andreoni
OriginalPaper Pages: 161 - 167
Density-functional theory theory investigations of enzyme-substrate interactions
Paolo Carloni
Frank Alber
OriginalPaper Pages: 169 - 179
Molecular dynamics simulations: a tool for drug design
Didier Rognan
OriginalPaper Pages: 181 - 209
Bioisosterism and molecular diversity
Robert D. Clark
Allan M. Ferguson
Richard D. Cramer
OriginalPaper Pages: 213 - 224
Similarity and Dissimilarity: A Medicinal Chemist's View
Hugo Kubinyi
OriginalPaper Pages: 225 - 252
Pharmacophore modelling: methods, experimental verification and applications
Arup K. Ghose
John J. Wendoloski
OriginalPaper Pages: 253 - 271
The use of self-organizing neural networks in drug design
Soheila Anzali
Johann Gasteiger
Markus Wagener
OriginalPaper Pages: 273 - 299
Calculation of structural similarity by the alignment of molecular electrostatic potentials
David A. Thorner
David J. Wild
P. Matthew Wright
OriginalPaper Pages: 301 - 320
Excplicit calculation of 3D molecular similarity
Andrew C. Good
W. Graham Richards
OriginalPaper Pages: 321 - 338
Novel software tools for chemical diversity
Robert S. Pearlman
K.M. Smith
OriginalPaper Pages: 339 - 353
New 3D molecular descriptors: the WHIM theory and QSAR applications
Roberto Todeschini
Paola Gramatica
OriginalPaper Pages: 355 - 380
EVA: a novel theoretical descriptor for QSAR studies
Trevor W. Heritage
Allan M. Ferguson
Peter Willett
OriginalPaper Pages: 381 - 398

Volume 9, Issue 0

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