An evaluation of in-silico methods for predicting solute partition in multiphase complex fluids – A case study of octanol/water partition coefficient
Author:
Funder
EU Hori-zon 2020
Publisher
Elsevier BV
Subject
Applied Mathematics,Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry
Reference71 articles.
1. Predicting the partitioning behavior of various highly fluorinated compounds;Arp;Environ. Sci. Technol.,2006
2. Density-functional exchange-energy approximation with correct asymptotic behavior;Becke;Phys. Rev. A,1988
3. Prediction of phospholipid-water partition coefficients of ionic organic chemicals using the mechanistic model COSMOmic;Bittermann;J. Phys. Chem. B,2014
4. Comparison of different models predicting the phospholipid-membrane water partition coefficients of charged compounds;Bittermann;Chemosphere,2016
5. PLUMED: a portable plugin for free-energy calculations with molecular dynamics;Bonomi;Comput. Phys. Commun.,2009
Cited by 26 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. Computer-Assisted Drug Discovery of Potential African Anti-SARS-CoV-2 Natural Products Targeting the Helicase Protein;Natural Product Communications;2024-04
2. Multistaged In Silico Discovery of the Best SARS-CoV-2 Main Protease Inhibitors amongst 3009 Clinical and FDA-Approved Compounds;Journal of Chemistry;2024-03-06
3. Isolation and in silico investigation of cannflavins from Cannabis sativa leaves as potential anti-SARS-CoV-2 agents targeting the Papain-Like Protease;Natural Product Research;2023-12-15
4. Computer-assisted drug discovery of potential natural inhibitors of the SARS-CoV-2 RNA-dependent RNA polymerase through a multi-phase in silico approach;Antiviral Therapy;2023-09-05
5. In Silico Prediction of Stratum Corneum Partition Coefficients via COSMOmic and Molecular Dynamics Simulations;The Journal of Physical Chemistry B;2023-03-17
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