Volume 17, Issue 1 | Journal of Computer-Aided Molecular Design

Journal of Computer-Aided Molecular Design

Incorporating Perspectives in Drug Discovery and Design

Publishing model:: Hybrid

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Volume 17, Issue 1

January 2003

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5 articles in this issue

Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR Study
Joachim Paier
Thomas Stockner
Walter M.F. Fabian
OriginalPaper Pages: 1 - 11
Fast 3D molecular superposition and similarity search in databases of flexible molecules
Andreas Krämer
Hans W. Horn
Julia E. Rice
OriginalPaper Pages: 13 - 38
Exploring the molecular basis of selectivity in A₁ adenosine receptors agonists: a case study
Fabrizio Giordanetto
Paola Fossa
Luisa Mosti
OriginalPaper Pages: 39 - 51
In silico rationalization of the structural and physicochemical requirements for photobiological activity in angelicine derivatives and their heteroanalogues
Fabrizio Giordanetto
Paola Fossa
Luisa Mosti
OriginalPaper Pages: 53 - 64
Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCA
Philippa R.N. Wolohan
Robert D. Clark
OriginalPaper Pages: 65 - 76