(Q42670601)

4 November 2017

title

Consensus scoring for ligand/protein interactions (English)

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4 November 2017

Robert D Clark

1

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author name string

Alexander Strizhev

2

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4 November 2017

Joseph M Leonard

3

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4 November 2017

James F Blake

4

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4 November 2017

James B Matthew

5

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4 November 2017

publication date

1 January 2002

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Journal of Molecular Graphics & Modelling

4 November 2017

published in

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4 November 2017

volume

20

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4 November 2017

issue

4

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4 November 2017

page(s)

281-295

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A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

4 November 2017

cites work

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Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

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Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis

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Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

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Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

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7 January 2021

Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond

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7 January 2021

Evaluation of intrinsic binding energy from a hydrogen bonding group in an enzyme inhibitor

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Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics

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High-resolution structure of the complex between carboxypeptidase A andL-phenyl lactate

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Refined structure for the complex of 1-deoxynojirimycin with glucoamylase from Aspergillus awamori var. X100 to 2.4-A resolution

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7 January 2021

Influenza B virus neuraminidase can synthesize its own inhibitor

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7 January 2021

A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

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7 January 2021

Knowledge-based scoring function to predict protein-ligand interactions.

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7 January 2021

The sensitivity of the results of molecular docking to induced fit effects: application to thrombin, thermolysin and neuraminidase

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7 January 2021

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Identifiers

DOI

1 reference

4 November 2017

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