SLATE: a method for the superposition of flexible ligands. (Q32058654)

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4 November 2019

title

SLATE: a method for the superposition of flexible ligands (English)

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4 November 2019

3

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4 November 2019

author name string

J E Mills

series ordinal

1

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4 November 2019

I J de Esch

series ordinal

2

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4 November 2019

P M Dean

series ordinal

4

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4 November 2019

publication date

1 January 2001

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Journal of Computer - Aided Molecular Design

4 November 2019

published in

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4 November 2019

volume

15

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4 November 2019

issue

1

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4 November 2019

page(s)

81-96

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The matching of electrostatic extrema: a useful method in drug design? A study of phosphodiesterase III inhibitors

4 November 2019

cites work

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12 December 2020

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12 December 2020

Molecular surface-volume and property matching to superpose flexible dissimilar molecules.

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Novel carbamates as potent histamine H3 receptor antagonists with high in vitro and oral in vivo activity

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Synthesis and histamine H3 receptor activity of 4-(n-alkyl)-1H-imidazoles and 4-(omega-phenylalkyl)-1H-imidazoles

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Superposition of three-dimensional chemical structures allowing for conformational flexibility by a hybrid method.

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Conformational energy penalties of protein-bound ligands

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A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

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H3-receptor antagonists: synthesis and structure-activity relationships of para- and meta-substituted 4(5)-phenyl-2-[[2-[4(5)-imidazolyl]ethyl]thio]imidazoles

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A simple and rapid in vitro test system for the screening of histamine H3 ligands

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Auto-inhibition of brain histamine release mediated by a novel class (H3) of histamine receptor

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Novel histamine H3 receptor antagonists: synthesis and evaluation of formamidine and S-methylisothiourea derivatives

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FLEXS: a method for fast flexible ligand superposition.

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An automated method for predicting the positions of hydrogen-bonding atoms in binding sites

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A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

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Three-dimensional hydrogen-bond geometry and probability information from a crystal survey

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Methodological developments and strategies for a fast flexible superposition of drug-size molecules

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The medicinal chemistry and therapeutic potentials of ligands of the histamine H3 receptor.

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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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12 December 2020

Design of Potent Non-Thiourea H3-Receptor Histamine Antagonists

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12 December 2020

New analogs of burimamide as potent and selective histamine H3 receptor antagonists: the effect of chain length variation of the alkyl spacer and modifications of the N-thiourea substituent

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Automatic superposition of drug molecules based on their common receptor site

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Gene duplications in the structural evolution of chymotrypsin

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Do active site conformations of small ligands correspond to low free-energy solution structures?

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Evolutionary algorithms in computer-aided molecular design

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Characterization of the binding site of the histamine H(3) receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide.

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The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands

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The search for functional correspondences in molecular structure between two dissimilar molecules.

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Conformational changes of small molecules binding to proteins

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12 December 2020

Identifiers

DOI

10.1023/A:1011102129244

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:11217921%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/MillsEPD01

4 November 2019

DBLP publication ID

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1018259978

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