(Q40582368)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12798390%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

title

Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design (English)

1 reference

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4 November 2019

1 reference

4

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4 November 2019

author name string

Ryan Smith

1

1 reference

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4 November 2019

Roderick E Hubbard

2

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4 November 2019

Daniel A Gschwend

3

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4 November 2019

Andrew C Good

5

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4 November 2019

publication date

1 September 2003

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Journal of Molecular Graphics & Modelling

4 November 2019

published in

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4 November 2019

volume

22

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4 November 2019

page(s)

41-53

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4 November 2019

issue

1

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New approach to molecular docking and its application to virtual screening of chemical databases

4 November 2019

cites work

1 reference

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7 January 2021

The Protein Data Bank

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7 January 2021

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

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7 January 2021

Molecular docking towards drug discovery

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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

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7 January 2021

Errors in protein structures

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7 January 2021

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

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7 January 2021

Physicochemical-activity relations in practice. 2. Rational selection of benzenoid substituents

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7 January 2021

Inhibition of human immunodeficiency virus-1 protease by a C2-symmetric phosphinate. Synthesis and crystallographic analysis

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7 January 2021

Evaluation of direct and cooperative contributions towards the strength of buried hydrogen bonds and salt bridges

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7 January 2021

The potential of Internet computing for drug discovery

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7 January 2021

Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques

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7 January 2021

Ligand-protein database: linking protein-ligand complex structures to binding data

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7 January 2021

A new test set for validating predictions of protein-ligand interaction.

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7 January 2021

10.1016/S1093-3263(03)00125-6

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12798390%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

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