(Q57012695)

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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching

scientific article published on 01 January 2000

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

1

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

Gerry M. Maggiora

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

author name string

D C Rohrer

2

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

publication date

1 January 2000

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

14

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

1

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

39-51

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

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

1 reference

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A shape-based machine learning tool for drug design

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A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies

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Inhibition of HIV-1 Replication by a Nonnucleoside Reverse Transcriptase Inhibitor

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The calculation of molecular similarity: alternative formulas, data manipulation and graphical display

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MEPSIM: a computational package for analysis and comparison of molecular electrostatic potentials.

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3D database searching in drug design

1 reference

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12 December 2020

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Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors

1 reference

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A molecular field-based similarity approach to pharmacophoric pattern recognition.

1 reference

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Time-efficient flexible superposition of medium-sized molecules.

1 reference

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12 December 2020

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A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/10702924

12 December 2020

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Strategies for the determination of pharmacophoric 3D database queries

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Synthesis and anti-HIV-1 activity of 4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-jk][1,4]benzodiazepin- 2(1H)-one (TIBO) derivatives

1 reference

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ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures

1 reference

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12 December 2020

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inferred from PubMed ID database lookup

Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution

1 reference

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

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The Protein Data Bank: a computer-based archival file for macromolecular structures

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An exploration of a novel strategy for superposing several flexible molecules.

1 reference

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Potent and highly selective human immunodeficiency virus type 1 (HIV-1) inhibition by a series of alpha-anilinophenylacetamide derivatives targeted at HIV-1 reverse transcriptase

1 reference

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Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: comparison of predicted and experimental conformations of inhibitors of three enzymes

1 reference

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Searching for pharmacophoric patterns in databases of three-dimensional chemical structures

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Similarity measures for rational set selection and analysis of combinatorial libraries: the Diverse Property-Derived (DPD) approach

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Different approaches toward an automatic structural alignment of drug molecules: applications to sterol mimics, thrombin and thermolysin inhibitors

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Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors

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OVID and SUPER: Two overlap programs for drug design

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Structure-activity relationships from molecular similarity matrices.

1 reference

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Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor

1 reference

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based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1023/A:1008168228728

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

DBLP publication ID

journals/jcamd/MestresRM00

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

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PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10702924%20AND%20SRC:MED&resulttype=core&format=json

4 November 2019

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