gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison. - Wikidata - awgldk - TriplyDB

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

http://www.wikidata.org/entity/Q35147103

about

The Mechanisms of Bushen-Yizhi Formula as a Therapeutic Agent against Alzheimer's Disease.Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds.Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery

P2860

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P2860

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

http://www.wikidata.org/entity/Q35147103

description

2014 nî lūn-bûn

@nan

2014 թուականի Ապրիլին հրատարակուած գիտական յօդուած

@hyw

2014 թվականի ապրիլին հրատարակված գիտական հոդված

@hy

2014年の論文

@ja

2014年論文

@yue

2014年論文

@zh-hant

2014年論文

@zh-hk

2014年論文

@zh-mo

2014年論文

@zh-tw

2014年论文

@wuu

name

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

@ast

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

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type

label

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

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gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

@en

prefLabel

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

@ast

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

@en

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Journal of Computational Chemistry

P1476

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison

@en

P2093

Jiabo Li

http://www.w3.org/2001/XMLSchema#string

Jun Xu

http://www.w3.org/2001/XMLSchema#string

Xin Yan

http://www.w3.org/2001/XMLSchema#string

P2860

Accelerating molecular dynamic simulation on graphics processing units

Molecular Shape and Medicinal Chemistry: A Perspective

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug d

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

ZINC: a free tool to discover chemistry for biology

Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.

Fast and accurate protein substructure searching with simulated annealing and GPUs

ShaEP: molecular overlay based on shape and electrostatic potential.

GPU accelerated support vector machines for mining high-throughput screening data.

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1122-1130

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scholarly article

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10.1002/JCC.23603

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15

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35

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2014-04-12T00:00:00Z

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261610025

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24729358

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