(Q71749022)

English

Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency

scientific article published on 01 June 1995

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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:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

author name string

R T Kroemer

1

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

P Hecht

2

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

publication date

1 June 1995

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

9

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20 October 2019

3

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

205-212

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Structure-activity relationships of the antimalarial agent artemisinin. 1. Synthesis and comparative molecular field analysis of C-9 analogs of artemisinin and 10-deoxoartemisinin

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the prediction of binding properties of drug molecules by comparative molecular field analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Three-dimensional quantitative structure-activity relationship of angiotesin-converting enzyme and thermolysin inhibitors. II. A comparison of CoMFA models incorporating molecular orbital fields and desolvation free energies based on active-analog a

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

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Direct prediction of dissociation constants (pKa's) of clonidine-like imidazolines, 2-substituted imidazoles, and 1-methyl-2-substituted-imidazoles from 3D structures using a comparative molecular field analysis (CoMFA) approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Multivariate data analysis and experimental design in biomedical research.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

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The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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CoMFA validation of the superposition of six classes of compounds which block GABA receptors non-competitively.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Comparative molecular field analysis of the antitumor activity of 9H-thioxanthen-9-one derivatives against pancreatic ductal carcinoma 03.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

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Strategic approaches to drug design. I. An integrated software framework for molecular modelling

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mechanistic interpretation of the genotoxicity of nitrofurans (antibacterial agents) using quantitative structure-activity relationships and comparative molecular field analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Correlation analysis. Its application to the structure-activity relation of triazines inhibiting dihydrofolate reductase

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561973

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/BF00124452

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

DBLP publication ID

journals/jcamd/KroemerH95

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561973%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

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