(Q53667706)

17 May 2018

review article

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title

Virtual screening using grid computing: the screensaver project. (English)

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17 May 2018

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W Graham Richards

1

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17 May 2018

publication date

1 July 2002

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17 May 2018

Nature Reviews Drug Discovery

published in

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17 May 2018

volume

1

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17 May 2018

issue

7

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17 May 2018

page(s)

551-555

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17 May 2018

High-throughput docking for lead generation

cites work

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Equation of State Calculations by Fast Computing Machines

31 March 2020

1 reference

Optimization by Simulated Annealing

31 March 2020

1 reference

Automated docking of substrates to proteins by simulated annealing

31 March 2020

1 reference

Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

31 March 2020

1 reference

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

31 March 2020

1 reference

Development and validation of a genetic algorithm for flexible docking

31 March 2020

1 reference

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

31 March 2020

1 reference

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

31 March 2020

1 reference

Functionality maps of binding sites: a multiple copy simultaneous search method

31 March 2020

1 reference

Automated docking with grid-based energy evaluation

31 March 2020

1 reference

A geometric approach to macromolecule-ligand interactions

31 March 2020

1 reference

Matching chemistry and shape in molecular docking

31 March 2020

1 reference

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

31 March 2020

1 reference

A fast flexible docking method using an incremental construction algorithm.

31 March 2020

1 reference

Comprehensive survey of combinatorial library synthesis: 2000.

31 March 2020

1 reference

Comprehensive survey of combinatorial library synthesis: 1999.

31 March 2020

1 reference

Comprehensive survey of combinatorial library synthesis: 1998.

31 March 2020

1 reference

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

31 March 2020

1 reference

Computational methods for the prediction of 'drug-likeness'

31 March 2020

1 reference

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

31 March 2020

1 reference

New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure

31 March 2020

1 reference

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds

31 March 2020

1 reference

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds

31 March 2020

1 reference

Identification of ligand binding sites on proteins using a multi-scale approach.

31 March 2020

1 reference

Pinpointing anthrax-toxin inhibitors.

31 March 2020

1 reference

31 March 2020

1 reference

Designing a polyvalent inhibitor of anthrax toxin

31 March 2020

1 reference

Crystal structure of the anthrax toxin protective antigen

31 March 2020

1 reference

31 March 2020

Identifiers

DOI

10.1038/NRD841

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17 May 2018

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17 May 2018