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New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases

https://doi.org/10.1021/ci990440d
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Automated flexible ligand docking method and its application for database search
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Flexible docking using tabu search and an empirical estimate of binding affinity
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FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
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Flexible ligand docking using a genetic algorithm
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Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4
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A geometric approach to macromolecule-ligand interactions
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Refined 2·3ÅX-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA
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A genetic algorithm based method for docking flexible molecules
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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
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Computational methods for biomolecular docking
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Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites
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Virtual screening—an overview
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Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
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QXP: Powerful, rapid computer algorithms for structure-based drug design
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A comparison of heuristic search algorithms for molecular docking
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Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
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The sensitivity of the results of molecular docking to induced fit effects: Application to thrombin, thermolysin and neuraminidase
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X-ray Structure of Active Site-inhibited Clotting Factor Xa
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Flexible Docking and Design

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Illustration of Current Challenges in Molecular Docking
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