Molecular Surfaces: A Review

Michael L. Connolly

1259 El Camino Real, #184
Menlo Park, CA 94025
U.S.A.

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E-mail: connolly@best.com

http://www.netsci.org/Science/Compchem/feature14.html

Introduction

This article reviews computations and visualizations of molecular surfaces. Emphasis is placed on the solvent-accessibility ideas of Lee and Richards (1971) and the work that grew out of them. There is also some material on physical molecular models, X-ray crystallography, molecular graphics, and rational drug design. Other molecular surface review articles include (Richards, 1977; Max 1983; Max, 1984; Richards, 1985a; Mezey, 1990). The last web page of this article contains an extensive bibliography going back to the early molecular modeling work of the 1960's.

Physical Molecular Models

Electron Density Fitting

Molecular Graphics

Solvent-Accessible Surfaces

Molecular Surface Graphics

Molecular Volume and Protein Packing

Shapes of Small Molecules and Proteins

Structure-based Drug Design

Protein-Protein Interactions

Surface Biology, Chemistry and Physics

Bibliography.

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