Potential Energy Surfaces of Various Accuracy for Bio-molecular Simulations

用于生物分子模拟的各种精度的势能面

• 批准号: EP/K040529/1
• 负责人: Ilian Todorov
• 金额: $ 23.78万
• 依托单位: Science and Technology Facilities Council
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2013
• 资助国家: 英国
• 起止时间: 2013 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FK040529%2F1
• 关键词: Potential; Energy; Surfaces; Various; Accuracy

Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.

目前，所有资助研究的摘要都不能在GTR中找到。这通常是因为在提交提案时并不需要摘要，但可能是因为它包含了个人详细信息等敏感信息。

项目成果

Advanced Potential Energy Surfaces for Molecular Simulation.

• DOI: 10.1021/acs.jpcb.6b06414
• 发表时间: 2016-09-22
• 期刊: JOURNAL OF PHYSICAL CHEMISTRY B
• 影响因子: 3.3
• 作者: Albaugh, Alex;Boateng, Henry A.;Bradshaw, Richard T.;Demerdash, Omar N.;Dziedzic, Jacek;Mao, Yuezhi;Margul, Daniel T.;Swails, Jason;Zeng, Qiao;Case, David A.;Eastman, Peter;Wang, Lee-Ping;Essex, Jonathan W.;Head-Gordon, Martin;Pande, Vijay S.;Ponder, Jay W.;Shao, Yihan;Skylaris, Chris-Kriton;Todorov, Ilian T.;Tuckerman, Mark E.;Head-Gordon, Teresa
• 通讯作者: Head-Gordon, Teresa