Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators (Q46307778)

21 December 2017

title

Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators (English)

1 reference

21 December 2017

3

Jaroslaw Polanski

1 reference

21 December 2017

author name string

Tomasz Magdziarz

series ordinal

1

1 reference

21 December 2017

Pawel Mazur

series ordinal

2

1 reference

21 December 2017

publication date

21 October 2008

1 reference

21 December 2017

Journal of Molecular Modeling

published in

1 reference

21 December 2017

volume

15

1 reference

21 December 2017

issue

1

1 reference

21 December 2017

page(s)

41-51

1 reference

21 December 2017

https://scigraph.springernature.com/pub.10.1007/s00894-008-0373-1

exact match

0 references

cites work

The comparative molecular surface analysis (COMSA)--a nongrid 3D QSAR method by a coupled neural network and PLS system: predicting pK(a) values of benzoic and alkanoic acids

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-008-0373-1

The comparative molecular surface analysis (CoMSA) with modified uniformative variable elimination-PLS (UVE-PLS) method: application to the steroids binding the aromatase enzyme.

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-008-0373-1

Comparative molecular surface analysis (CoMSA) for modeling dye-fiber affinities of the azo and anthraquinone dyes

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS00894-008-0373-1

Natural and synthetic quinones and their reduction by the quinone reductase enzyme NQO1: from synthetic organic chemistry to compounds with anticancer potential

21 January 2018

1 reference

12 December 2020

Design and synthesis of bifunctional isothiocyanate analogs of sulforaphane: correlation between structure and potency as inducers of anticarcinogenic detoxication enzymes

1 reference

12 December 2020

y-Randomization and its variants in QSPR/QSAR.

1 reference

12 December 2020

Modeling robust QSAR. 1. Coding molecules in 3D-QSAR--from a point to surface sectors and molecular volumes

1 reference

12 December 2020

In silico identification and biochemical characterization of novel inhibitors of NQO1

1 reference

12 December 2020

3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis.

1 reference

12 December 2020

Probability issues in molecular design: predictive and modeling ability in 3D-QSAR schemes.

1 reference

12 December 2020

The comparative molecular surface analysis (COMSA): a novel tool for molecular design.

1 reference

12 December 2020

Sulforaphane-mediated induction of a phase 2 detoxifying enzyme NAD(P)H:quinone reductase and apoptosis in human lymphoblastoid cells.

1 reference

12 December 2020

Toward robust QSPR models: Synergistic utilization of robust regression and variable elimination.

1 reference

12 December 2020

Self-organizing molecular field analysis: a tool for structure-activity studies

1 reference

12 December 2020

Steroid-protein interactions. Human corticosteroid binding globulin: some physicochemical properties and binding specificity

1 reference

12 December 2020

Modeling robust QSAR.

1 reference

12 December 2020

Differential response of human healthy lymphoblastoid and CCRF-SB leukemia cells to sulforaphane and its two analogues: 2-oxohexyl isothiocyanate and alyssin

1 reference

12 December 2020

Combining protein modeling and 6D-QSAR. Simulating the binding of structurally diverse ligands to the estrogen receptor.

1 reference

12 December 2020

Elimination of Uninformative Variables for Multivariate Calibration

1 reference

12 December 2020

Receptor dependent multidimensional QSAR for modeling drug--receptor interactions

1 reference

12 December 2020

Combining 4D pharmacophore generation and multidimensional QSAR: modeling ligand binding to the bradykinin B2 receptor

1 reference

12 December 2020

In-Silico docking of HIV-1 integrase inhibitors reveals a novel drug type acting on an enzyme/DNA reaction intermediate

1 reference

12 December 2020

GRID formalism for the comparative molecular surface analysis: application to the CoMFA benchmark steroids, azo dyes, and HEPT derivatives

1 reference

12 December 2020

Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release

1 reference

12 December 2020

Anticarcinogenic activities of sulforaphane and structurally related synthetic norbornyl isothiocyanates

1 reference

12 December 2020

Multiple-conformation and protonation-state representation in 4D-QSAR: the neurokinin-1 receptor system.

1 reference

12 December 2020

Comparative molecular surface analysis: a novel tool for drug design and molecular diversity studies

1 reference

12 December 2020

Modeling robust QSAR. 2. iterative variable elimination schemes for CoMSA: application for modeling benzoic acid pKa values

1 reference

12 December 2020

10.1007/S00894-008-0373-1

Identifiers

DOI

1 reference

21 December 2017

PubMed ID

18936985

1 reference

21 December 2017