(Q58860161)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

title

Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

1 reference

1

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14 December 2019

language of work or name

English

0 references

publication date

1 December 2002

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

Bioorganic & Medicinal Chemistry

14 December 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

volume

10

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

issue

12

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

page(s)

3741-3755

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

The steroid and thyroid hormone receptor superfamily

14 December 2019

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

The estradiol pharmacophore: ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Cellular and molecular basis of estrogen's neuroprotection. Potential relevance for Alzheimer's disease

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

A novel human estrogen receptor beta: identification and functional analysis of additional N-terminal amino acids

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Molecular basis of agonism and antagonism in the oestrogen receptor

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Estrogen pyrazoles: defining the pyrazole core structure and the orientation of substituents in the ligand binding pocket of the estrogen receptor

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Synthesis and estrogen receptor binding affinities of novel pyrrolo[2,1,5-cd]indolizine derivatives

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Investigations of new lead structures for the design of selective estrogen receptor modulators

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Structure-based strategies for drug design and discovery

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Nonlinear dependence in comparative molecular field analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Ligand—protein docking and rational drug design

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Automated docking with grid-based energy evaluation

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Scoring functions: a view from the bench

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

FLEXS: a method for fast flexible ligand superposition.

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Simulations of the Estrogen Receptor Ligand-Binding Domain: Affinity of Natural Ligands and Xenoestrogens

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Competitive CYP2C9 inhibitors: enzyme inhibition studies, protein homology modeling, and three-dimensional quantitative structure-activity relationship analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Automated docking of flexible ligands: applications of AutoDock

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Generating Optimal Linear PLS Estimations (GOLPE): An Advanced Chemometric Tool for Handling 3D-QSAR Problems

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Molecular modelling of the human estrogen receptor and ligand interactions based on site-directed mutagenesis and amino acid sequence homology

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Three-dimensional model for the hormone binding domains of steroid receptors

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Ligand-based identification of environmental estrogens.

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Structure of the ligand-binding domain of oestrogen receptor beta in the presence of a partial agonist and a full antagonist

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

Calculation and prediction of binding free energies for the matrix metalloproteinases

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

The linear interaction energy method for predicting ligand binding free energies

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0968-0896%2802%2900375-9

7 January 2021

10.1016/S0968-0896(02)00375-9

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12413831%20AND%20SRC:MED&resulttype=core&format=json

14 December 2019

1 reference