A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

1997 • 6,184 citations

Generalizing the Hough transform to detect arbitrary shapes

1981 • 4,305 citations

A Fast Flexible Docking Method using an Incremental Construction Algorithm

1996 • 2,706 citations

Solvent-Accessible Surfaces of Proteins and Nucleic Acids

1983 • 2,685 citations

AREAS, VOLUMES, PACKING, AND PROTEIN STRUCTURE

1977 • 2,631 citations

Analytical molecular surface calculation

1983 • 2,454 citations

A geometric approach to macromolecule-ligand interactions

1982 • 2,146 citations

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

1995 • 1,514 citations

Automated docking of substrates to proteins by simulated annealing

1990 • 1,193 citations

The Cambridge Crystallographic Data Centre: computer-based search, retrieval, analysis and display of information

1979 • 1,145 citations

Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques.

1992 • 1,062 citations

Structure-Based Strategies for Drug Design and Discovery

1992 • 972 citations

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.

1982 • 737 citations

Crystallographic evidence of a large ligand-induced hinge-twist motion between the two domains of the maltodextrin binding protein involved in active transport and chemotaxis

1992 • 482 citations

The 2.3-A resolution structure of the maltose- or maltodextrin-binding protein, a primary receptor of bacterial active transport and chemotaxis.

1991 • 459 citations

The 2.3-A resolution structure of the maltose- or maltodextrin-binding protein, a primary receptor of bacterial active transport and chemotaxis.

1991 • 437 citations

“Soft docking”: Matching of molecular surface cubes

1991 • 402 citations

Ligand docking to proteins with discrete side-chain flexibility

1994 • 358 citations

Affine invariant model-based object recognition

1990 • 318 citations

Three-dimensional structures of the periplasmic lysine/arginine/ornithine-binding protein with and without a ligand

1993 • 313 citations

Efficient detection of three-dimensional structural motifs in biological macromolecules by computer vision techniques.

1991 • 294 citations

Structure-based design of nonpeptide inhibitors specific for the human immunodeficiency virus 1 protease.

1990 • 252 citations

Docking flexible ligands to macromolecular receptors by molecular shape

1986 • 241 citations

Solution structure of the cyclosporin A/cyclophilin complex by NMR

1993 • 241 citations

Conformational analysis of flexible ligands in macromolecular receptor sites

1992 • 211 citations

Rational Automatic Search Method for Stable Docking Models of Protein and Ligand

1994 • 129 citations

Flexible ligand docking without parameter adjustment across four ligand–receptor complexes

1995 • 112 citations

Molecular surface representations by sparse critical points

1994 • 110 citations

Use of structural information in drug design

1992 • 59 citations

Fast drug-receptor mapping by site-directed distances: a novel method of predicting new pharmacological leads

1991 • 52 citations

Grid‐search molecular accessible surface algorithm for solving the protein docking problem

1991 • 45 citations

[29] Computer-assisted rational drug design

1991 • 43 citations

An integrated approach to three-dimensional information management with MACCS-3D

1991 • 42 citations

Geometrically feasible binding modes of a flexible ligand molecule at the receptor site

1985 • 37 citations

Molecular recognition via face center representation of a molecular surface

1996 • 34 citations

Generalizing the generalized hough transform

1991 • 25 citations

Docking of conformationally flexible proteins

1996 • 8 citations

Untitled

1995 • 5 citations