DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
Author:
Affiliation:
1. Univ Lyon, Ens de Lyon, CNRS UMR 5182, Laboratoire de Chimie, F69342 Lyon, France
2. Total Marketing & Services, Chemin du Canal—BP 22, 69360 Solaize, France
Funder
Total
Association Nationale de la Recherche et de la Technologie
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00256
Reference71 articles.
1. Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic
2. Computer-aided drug design: the next 20 years
3. Structure-based drug design and modern medicine
4. Large-scale screening of hypothetical metal–organic frameworks
5. The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid
Cited by 16 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. A human-machine interface for automatic exploration of chemical reaction networks;Nature Communications;2024-05-01
2. Investigating the interplay between charge transfer and CO2 insertion in the adsorption of a NiFe catalyst for CO2 electroreduction on a graphite support through DFT computational approaches;Journal of Computational Chemistry;2024-04-02
3. Experimental and Theoretical Study on the Tribological Characteristics of Organophosphates on Metal Surfaces;Tribology Online;2024-02-15
4. Influence of Reaction Parameters on Nanogold-Catalyzed Glucose and Xylose Oxidation: A Joint Experimental and DFT Study;ACS Catalysis;2024-01-16
5. Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy;Journal of Physics: Condensed Matter;2024-01-04
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3