(Q58860167)

English

Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods

scientific article published on 01 August 2000

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scholarly article

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Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10921772%20AND%20SRC:MED&resulttype=core&format=json

8 November 2019

Receptor-based 3D QSAR analysis of estrogen receptor ligands--merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods (English)

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10921772%20AND%20SRC:MED&resulttype=core&format=json

8 November 2019

1 reference

based on heuristic

inferred from title

computational efficiency

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based on heuristic

inferred from title

1

1 reference

Europe PubMed Central

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8 November 2019

publication date

1 August 2000

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Europe PubMed Central

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8 November 2019

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

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8 November 2019

14

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8 November 2019

559-572

1 reference

Europe PubMed Central

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8 November 2019

6

1 reference

Europe PubMed Central

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8 November 2019

https://scigraph.springernature.com/pub.10.1023/a:1008115913787

0 references

Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

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Ligand-protein docking and rational drug design.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

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Scoring functions: a view from the bench

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based strategies for drug design and discovery

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

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Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

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A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure-activity relationships.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ligand-based identification of environmental estrogens.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative molecular field analysis and energy interaction studies of thrombin-inhibitor complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

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/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automated docking of flexible ligands: applications of AutoDock

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Nonlinear dependence in comparative molecular field analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A Strategy for the Incorporation of Water Molecules Present in a Ligand Binding Site into a Three-Dimensional Quantitative Structure−Activity Relationship Analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin,

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FLEXS: a method for fast flexible ligand superposition.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular basis of agonism and antagonism in the oestrogen receptor

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Energetic and entropic factors determining binding affinity in protein-ligand complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

QSAR models for binding of estrogenic compounds to estrogen receptor alpha and beta subtypes

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Using three-dimensional quantitative structure-activity relationships to examine estrogen receptor binding affinities of polychlorinated hydroxybiphenyls

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Evaluation of proposed modes of binding of (2S)-2-[4-[[(3S)-1-acetimidoyl-3-pyrrolidinyl]oxy]phenyl]-3-(7-am idino- 2- naphthyl)propanoic acid hydrochloride and some analogs to factor Xa using a comparative molecular field analysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Three-dimensional quantitative structure-activity relationship study of nonsteroidal estrogen receptor ligands using the comparative molecular field analysis/cross-validated r2-guided region selection approach.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An approach to rapid estimation of relative binding affinities of enzyme inhibitors: application to peptidomimetic inhibitors of the human immunodeficiency virus type 1 protease

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Modelling of factor Xa-inhibitor complexes: a computational flexible docking approach

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular modeling and 3D-QSAR studies on the interaction mechanism of tripeptidyl thrombin inhibitors with human alpha-thrombin

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CASP2 experiences with docking flexible ligands using FlexX.

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

1 reference

https://pubmed.ncbi.nlm.nih.gov/10921772

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1023/A:1008115913787

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10921772%20AND%20SRC:MED&resulttype=core&format=json

8 November 2019

DBLP publication ID

journals/jcamd/Sippl00

1 reference

DBLP Dataset 2021-01-02

28 January 2021

Dimensions Publication ID

0 references

1 reference

Europe PubMed Central

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:10921772%20AND%20SRC:MED&resulttype=core&format=json

8 November 2019

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