GPU accelerated implementation of NCI calculations using promolecular density-Reference-Cited by-同舟云学术

GPU accelerated implementation of NCI calculations using promolecular density

Published:2017-03-25 Issue:14 Volume:38 Page:1071-1083
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Rubez Gaëtan¹²³,Etancelin Jean-Matthieu²,Vigouroux Xavier¹,Krajecki Michael²,Boisson Jean-Charles²,Hénon Eric³^ORCID

Affiliation:

1. Parallel Computing division; ATOS Company; 1 rue de Provence Echirolles 38130 France

2. Departmant of Computer Science; CReSTIC (Centre de Recherche en STIC) EA3804, University of Reims Champagne-Ardenne; Moulin de la Housse Reims 51687 France

3. Department of Chemistry; ICMR, UMR CNRS 7312, University of Reims Champagne-Ardenne; Moulin de la Housse Reims 51687 France

Funder

French foundation of Technological Research ([PhD thesis of G. Rubez] agreement between the ATOS Company and the University of Reims Champagne-Ardenne)

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24786/fullpdf

Reference26 articles.

1. Revealing Noncovalent Interactions

2. Chemical Applications of X-ray Charge-Density Analysis

3. Charge Densities Come of Age

4. NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

5. Chemical properties from the promolecule

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Research on Binocular Vision Image Calibration Method Based on Canny Operator;Automatic Control and Computer Sciences;2024-08

2. IGMPlot: A program to identify, characterize, and quantify molecular interactions;Journal of Computational Chemistry;2023-05-12

3. Chiral Counteranion-Directed Catalytic Asymmetric Methylene Migration Reaction of Ene-Aldimines;The Journal of Organic Chemistry;2022-06-23

4. Sila-Ibuprofen;Journal of Medicinal Chemistry;2020-09-15

5. New Way for Probing Bond Strength;The Journal of Physical Chemistry A;2020-02-10