(Q58860169)

https://api.crossref.org/works/10.1016%2FS0166-1280%2899%2900361-9

7 January 2021

Structure-based strategies for drug design and discovery

1 reference

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7 January 2021

Nonlinear dependence in comparative molecular field analysis

1 reference

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7 January 2021

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

1 reference

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7 January 2021

Ligand—protein docking and rational drug design

1 reference

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7 January 2021

Automated docking with grid-based energy evaluation

1 reference

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7 January 2021

Scoring functions: a view from the bench

1 reference

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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

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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

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7 January 2021

FLEXS: a method for fast flexible ligand superposition.

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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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

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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

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7 January 2021

The steroid and thyroid hormone receptor superfamily

1 reference

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7 January 2021

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

1 reference

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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

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7 January 2021

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

1 reference

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7 January 2021

A model for the determination of the 3D-spatial distribution of the functions of the hormone-binding domain of receptors that bind 3-keto-4-ene steroids

1 reference

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7 January 2021

Three-dimensional models of estrogen receptor ligand binding domain complexes, based on related crystal structures and mutational and structure-activity relationship data.

1 reference

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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

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7 January 2021

Molecular basis of agonism and antagonism in the oestrogen receptor

1 reference

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7 January 2021

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

1 reference

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7 January 2021

Automated docking of flexible ligands: applications of AutoDock

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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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

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7 January 2021

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

1 reference

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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

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7 January 2021

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

1 reference

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7 January 2021

From molecular structure to Alzheimer therapy

1 reference

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7 January 2021

3-aminopyridazine derivatives with atypical antidepressant, serotonergic, and dopaminergic activities

1 reference

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7 January 2021

Aminopyridazines as acetylcholinesterase inhibitors

1 reference

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7 January 2021

Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

1 reference

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7 January 2021

Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase

1 reference

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7 January 2021

Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A

1 reference

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7 January 2021