Development of biologically active compounds by combining 3D QSAR and structure-based design methods (Q44490741)

3 December 2017

Development of biologically active compounds by combining 3D QSAR and structure-based design methods (English)

1 reference

3 December 2017

1

1 reference

3 December 2017

1 November 2002

1 reference

Journal of Computer - Aided Molecular Design

3 December 2017

1 reference

3 December 2017

16

1 reference

3 December 2017

11

1 reference

3 December 2017

825-830

1 reference

https://scigraph.springernature.com/pub.10.1023/a:1023888813526

3 December 2017

0 references

cites work

Scoring functions: a view from the bench

1 reference

12 December 2020

The Protein Data Bank

1 reference

12 December 2020

Prediction of ligand-receptor binding thermodynamics by free energy force field (FEFF) 3D-QSAR analysis: application to a set of peptidometic renin inhibitors

1 reference

12 December 2020

A review of protein-small molecule docking methods

1 reference

12 December 2020

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands

1 reference

12 December 2020

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

12 December 2020

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

1 reference

12 December 2020

DoMCoSAR: a novel approach for establishing the docking mode that is consistent with the structure-activity relationship. Application to HIV-1 protease inhibitors and VEGF receptor tyrosine kinase inhibitors.

1 reference

12 December 2020

Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis

1 reference

12 December 2020

Automated docking of flexible ligands: applications of AutoDock

1 reference

12 December 2020

Novel benzofuran and benzothiophene biphenyls as inhibitors of protein tyrosine phosphatase 1B with antihyperglycemic properties

1 reference

12 December 2020

Design, synthesis, and structure-activity relationships of a series of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazine derivatives as acetylcholinesterase inhibitors

1 reference

12 December 2020

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

12 December 2020

Inhibitory mode of 1,5-diarylpyrazole derivatives against cyclooxygenase-2 and cyclooxygenase-1: molecular docking and 3D QSAR analyses.

1 reference

12 December 2020

DrugScore meets CoMFA: adaptation of fields for molecular comparison (AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein.

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

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

12 December 2020

Prediction of drug binding affinities by comparative binding energy analysis.

1 reference

12 December 2020

Elucidating the inhibiting mode of AHPBA derivatives against HIV-1 protease and building predictive 3D-QSAR models

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1023888813526

1 reference

3 December 2017

journals/jcamd/Sippl02

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

PubMed ID

12825795