(Q43137789)

14 November 2017

title

Docking and 3D QSAR study of thiourea analogs as potent inhibitors of influenza virus neuraminidase (English)

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14 November 2017

Jiaying Sun

1

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14 November 2017

Shaoxi Cai

2

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14 November 2017

Hu Mei

3

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14 November 2017

Jian Li

4

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14 November 2017

Ning Yan

5

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14 November 2017

Yuanqiang Wang

6

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14 November 2017

publication date

7 March 2010

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Journal of Molecular Modeling

14 November 2017

published in

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14 November 2017

volume

16

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14 November 2017

issue

12

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14 November 2017

page(s)

1809-1818

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Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

14 November 2017

cites work

1 reference

12 December 2020

Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase

1 reference

12 December 2020

Automatic identification and representation of protein binding sites for molecular docking

1 reference

12 December 2020

Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides.

1 reference

12 December 2020

Estimating protein-ligand binding free energy: atomic solvation parameters for partition coefficient and solvation free energy calculation.

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

Resistance of influenza viruses to neuraminidase inhibitors--a review.

1 reference

12 December 2020

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

1 reference

12 December 2020

Molecular electronegative distance vector (MEDV) related to 15 properties of alkanes

1 reference

12 December 2020

A QSAR study on influenza neuraminidase inhibitors

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

HINT: a new method of empirical hydrophobic field calculation for CoMFA.

1 reference

12 December 2020

Study on molecular mechanism and 3D-QSAR of influenza neuraminidase inhibitors.

1 reference

12 December 2020

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

1 reference

12 December 2020

Very empirical treatment of solvation and entropy: a force field derived from log Po/w

1 reference

12 December 2020

Structure-activity relationship studies of novel carbocyclic influenza neuraminidase inhibitors

1 reference

12 December 2020

Hydropathic interaction analyses of small organic activators binding to antithrombin

1 reference

12 December 2020

Is it possible to increase hit rates in structure-based virtual screening by pharmacophore filtering? An investigation of the advantages and pitfalls of post-filtering.

1 reference

12 December 2020

QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network

1 reference

12 December 2020

Synthesis of potent pyrrolidine influenza neuraminidase inhibitors

1 reference

12 December 2020

Design of benzoic acid inhibitors of influenza neuraminidase containing a cyclic substitution for the N-acetyl grouping

1 reference

12 December 2020

Antiviral treatment and prevention of seasonal influenza: a comparative review of recommendations in the European Union

1 reference

12 December 2020

Protein folding by restrained energy minimization and molecular dynamics

1 reference

12 December 2020

Hydropathic analysis of the non-covalent interactions between molecular subunits of structurally characterized hemoglobins

1 reference

12 December 2020

A ligand's-eye view of protein binding.

1 reference

12 December 2020

Quantitative structure activity relationship studies on thiourea analogues as influenza virus neuraminidase inhibitors

1 reference

12 December 2020

Consensus scoring for ligand/protein interactions

1 reference

12 December 2020

Receptor surface models. 1. Definition and construction

1 reference

12 December 2020

KEY, LOCK, and LOCKSMITH: complementary hydropathic map predictions of drug structure from a known receptor-receptor structure from known drugs

1 reference

12 December 2020

Design, synthesis, and structural analysis of influenza neuraminidase inhibitors containing pyrrolidine cores

1 reference

12 December 2020

Aromatic rings act as hydrogen bond acceptors

1 reference

12 December 2020

Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B

1 reference

12 December 2020

10.1007/S00894-010-0685-9

Identifiers

DOI

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release_g5kswcw3wfejxiamijb4kdpaha

14 November 2017

Fatcat ID

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Fatcat

https://api.fatcat.wiki/v0/release/g5kswcw3wfejxiamijb4kdpaha

24 November 2022

mapped directly with Wikidata item

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