Realistic sampling of amino acid geometries for a multipolar polarizable force field
Author:
Affiliation:
1. Manchester Institute of Biotechnology (MIB); 131 Princess Street Manchester M1 7DN Great Britain
2. School of Chemistry; University of Manchester; Oxford Road Manchester M13 9PL Great Britain
Funder
BBSRC and AstraZeneca
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference81 articles.
1. Current Status of the AMOEBA Polarizable Force Field
2. Extended electron distributions applied to the molecular mechanics of some intermolecular interactions
3. Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand−Macromolecule Complexes. A Bottom-Up Strategy
4. Direct computation of parameters for accurate polarizable force fields
5. Multipolar electrostatics
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. Non-covalent interactions from a Quantum Chemical Topology perspective;Journal of Molecular Modeling;2022-08-25
2. ICHOR: a modern pipeline for producing Gaussian process regression models for atomistic simulations;Materials Advances;2022
3. Creating Gaussian process regression models for molecular simulations using adaptive sampling;The Journal of Chemical Physics;2020-08-07
4. Description of Potential Energy Surfaces of Molecules Using FFLUX Machine Learning Models;Journal of Chemical Theory and Computation;2018-12-03
5. Machine Learning of Dynamic Electron Correlation Energies from Topological Atoms;Journal of Chemical Theory and Computation;2017-12-06
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