Development of an all-atom force field for heterocycles. Properties of liquid pyridine and diazenes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference33 articles.
1. Ligand—protein docking and rational drug design
2. Structure-based drug design: progress, results and challenges
3. Free energy calculations: Applications to chemical and biochemical phenomena
4. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
5. OPLS potential functions for nucleotide bases. Relative association constants of hydrogen-bonded base pairs in chloroform
Cited by 304 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. Molecular Dynamics Simulation of CO2 Uptake in NKPOC-1: Understanding the Temperature-Dependent Multistep Adsorption in Soft Porous Molecular Crystal;The Journal of Physical Chemistry C;2024-06-22
2. Do Electrostatics Control the Diffusive Dynamics of Solitary Water? NMR and MD Studies of Water Translation and Rotation in Dipolar and Ionic Solvents;The Journal of Physical Chemistry B;2024-04-08
3. Ionic Pairing and Selective Solvation of Butylmethylimidazolium Chloride Ion Pairs in DMSO–Water Mixtures: A Comprehensive Examination via Molecular Dynamics Simulations and Potentials of Mean Force Analysis;The Journal of Physical Chemistry B;2024-02-28
4. QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations;Computer Physics Communications;2024-02
5. Evaluating the Influence of Waste Cooking Oil Molecular Structure on Aged Asphalt Modification;Construction Materials;2023-12-06
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