(Q43704069)

26 November 2017

title

Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors (English)

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26 November 2017

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T Fox

1

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26 November 2017

E E Haaksma

series ordinal

2

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26 November 2017

publication date

1 July 2000

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Journal of Computer - Aided Molecular Design

26 November 2017

published in

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26 November 2017

volume

14

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26 November 2017

issue

5

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26 November 2017

page(s)

411-425

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https://scigraph.springernature.com/pub.10.1023/a:1008167012101

26 November 2017

exact match

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cites work

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Conformation-activity relationship study of 5-HT3 receptor antagonists and a definition of a model for this receptor site

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A player of many parts: the spotlight falls on thrombin's structure.

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Highly potent, orally active diester macrocyclic human renin inhibitors

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On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure

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12 December 2020

Pharmacophores incorporating numerous excluded volumes defined by X-ray crystallographic structure in three-dimensional database searching: application to the thyroid hormone receptor

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Flexible docking using Tabu search and an empirical estimate of binding affinity.

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A fast flexible docking method using an incremental construction algorithm.

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

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HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching

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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

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12 December 2020

Pharmacophoric pattern matching in files of three-dimensional chemical structures: implementation of flexible searching

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12 December 2020

Identifiers

DOI

10.1023/A:1008167012101

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26 November 2017

DBLP publication ID

journals/jcamd/FoxH00

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1011941753

0 references

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