(Q42670601)

4 November 2017

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

1 January 2002

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Journal of Molecular Graphics & Modelling

4 November 2017

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4 November 2017

20

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4 November 2017

4

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4 November 2017

281-295

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

4 November 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Two-stage method for protein-ligand docking

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Protein-based virtual screening of chemical databases. 1. Evaluation of different docking/scoring combinations.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Automated docking with grid-based energy evaluation

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

An all atom force field for simulations of proteins and nucleic acids

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Development and validation of a genetic algorithm for flexible docking

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

A fast flexible docking method using an incremental construction algorithm.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

Influenza B virus neuraminidase can synthesize its own inhibitor

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS1093-3263%2801%2900125-5

7 January 2021

10.1016/S1093-3263(01)00125-5

Identifiers

DOI

1 reference

4 November 2017

1 reference