日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Tuning Potential Functions to Host-Guest Binding Data

调整势函数以适应主客体结合数据

Setiadi, Jeffry; Boothroyd, Simon; Slochower, David R; Dotson, David L; Thompson, Matthew W; Wagner, Jeffrey R; Wang, Lee-Ping; Gilson, Michael K

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

SAMPL6 采样挑战:评估结合自由能计算的可靠性和效率

Rizzi, Andrea; Jensen, Travis; Slochower, David R; Aldeghi, Matteo; Gapsys, Vytautas; Ntekoumes, Dimitris; Bosisio, Stefano; Papadourakis, Michail; Henriksen, Niel M; de Groot, Bert L; Cournia, Zoe; Dickson, Alex; Michel, Julien; Gilson, Michael K; Shirts, Michael R; Mobley, David L; Chodera, John D

Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

利用开放力场倡议组织(Open Force Field Initiative)的SMIRNOFF99Frosst 1.0.5计算主客体系统的结合热力学

Slochower, David R; Henriksen, Niel M; Wang, Lee-Ping; Chodera, John D; Mobley, David L; Gilson, Michael K

Open collaborative writing with Manubot

与 Manubot 进行开放式协作写作

Himmelstein, Daniel S; Rubinetti, Vincent; Slochower, David R; Hu, Dongbo; Malladi, Venkat S; Greene, Casey S; Gitter, Anthony

Escaping Atom Types in Force Fields Using Direct Chemical Perception

利用直接化学感知力场中逃逸原子的类型

Mobley, David L; Bannan, Caitlin C; Rizzi, Andrea; Bayly, Christopher I; Chodera, John D; Lim, Victoria T; Lim, Nathan M; Beauchamp, Kyle A; Slochower, David R; Shirts, Michael R; Gilson, Michael K; Eastman, Peter K

Motor-like Properties of Nonmotor Enzymes

非运动酶的运动样特性

Slochower, David R; Gilson, Michael K

Overview of the SAMPL5 host-guest challenge: Are we doing better?

SAMPL5 主机-客户挑战概述:我们做得更好了吗?

Yin, Jian; Henriksen, Niel M; Slochower, David R; Shirts, Michael R; Chiu, Michael W; Mobley, David L; Gilson, Michael K

Salmon-derived thrombin inhibits development of chronic pain through an endothelial barrier protective mechanism dependent on APC

鲑鱼来源的凝血酶通过依赖于活化蛋白C(APC)的内皮屏障保护机制抑制慢性疼痛的发生发展。

Smith, Jenell R; Galie, Peter A; Slochower, David R; Weisshaar, Christine L; Janmey, Paul A; Winkelstein, Beth A

Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomers

两种磷脂酰肌醇二磷酸异构体的物理化学性质和膜性质

Slochower, David R; Wang, Yu-Hsiu; Radhakrishnan, Ravi; Janmey, Paul A

Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids

丝状生物聚合物的聚电解质特性及其在生物体液中的影响

Janmey, Paul A; Slochower, David R; Wang, Yu-Hsiu; Wen, Qi; Cēbers, Andrejs