IsoStar: a library of information about nonbonded interactions

Details

Instance of

scholarly article

Publication date

1 November 1997, November 1997

Main subject

ligand, biochemistry, drug design, fact database

author name string

I. J. Bruno, J. C. Cole, J. P. Lommerse, R. S. Rowland, R. Taylor, M. L. Verdonk

cites work

A fast and efficient method to generate biologically relevant conformations, Geometries of functional group interactions in enzyme-ligand complexes: guides for receptor modelling, Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments, Binding to protein targets of peptidic leads discovered by phage display: crystal structures of streptavidin-bound linear and cyclic peptide ligands containing the HPQ sequence, Solvent interactions with pi ring systems in proteins, Amino/aromatic interactions in proteins: is the evidence stacked against hydrogen bonding?, Development and validation of a genetic algorithm for flexible docking, Three-dimensional hydrogen-bond geometry and probability information from a crystal survey, Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins, PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules, The protein data bank: A computer-based archival file for macromolecular structures, Structural Aspects of Metal Liganding to Functional Groups in Proteins

issue

6

language of work or name

English

page(s)

525-537

published in

Journal of Computer - Aided Molecular Design

title

IsoStar: a library of information about nonbonded interactions

volume

11