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

Reducing weighted ensemble variance with optimal trajectory management

利用最优轨迹管理降低加权集合方差

Ryu, Won Hee; Russo, John D; Johnson, Mats S; Copperman, Jeremy T; Thompson, Jeffrey P; LeBard, David N; Webber, Robert J; Simpson, Gideon; Aristoff, David; Zuckerman, Daniel M

Lessons Learned from a Ligand-Unbinding Stress Test for Weighted Ensemble Simulations

从配体解离应力测试中汲取的加权系综模拟经验教训

Bogetti, Anthony T; Yang, Darian T; Piston, Hannah E; LeBard, David N; Chong, Lillian T

Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS (G12D)

利用沿简正模式的增强采样探索隐秘口袋:KRAS (G12D) 案例研究

Vithani, Neha; Zhang, She; Thompson, Jeffrey P; Patel, Lara A; Demidov, Alex; Xia, Junchao; Balaeff, Alexander; Mentes, Ahmet; Arnautova, Yelena A; Kohlmann, Anna; Lawson, J David; Nicholls, Anthony; Skillman, A Geoffrey; LeBard, David N

Hoverflies of the Timon-David collection (Diptera, Syrphidae)

蒂蒙-戴维收藏的食蚜蝇(双翅目,食蚜蝇科)

Nève, Gabriel; Lair, Xavier; Lebard, Thomas; Meunier, Jean-Yves; Teste, Louis-Jean; Séguinel, Louise

A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]

WESTPA 2.0 稀有事件采样软件教程集 [文章 v2.0]

Bogetti, Anthony T; Leung, Jeremy M G; Russo, John D; Zhang, She; Thompson, Jeff P; Saglam, Ali S; Ray, Dhiman; Mostofian, Barmak; Pratt, A J; Abraham, Rhea C; Harrison, Page O; Dudek, Max; Torrillo, Paul A; DeGrave, Alex J; Adhikari, Upendra; Faeder, James R; Andricioaei, Ioan; Adelman, Joshua L; Zwier, Matthew C; LeBard, David N; Zuckerman, Daniel M; Chong, Lillian T

WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications

WESTPA 2.0:用于加权集合模拟和长期应用分析的高性能升级

Russo, John D; Zhang, She; Leung, Jeremy M G; Bogetti, Anthony T; Thompson, Jeff P; DeGrave, Alex J; Torrillo, Paul A; Pratt, A J; Wong, Kim F; Xia, Junchao; Copperman, Jeremy; Adelman, Joshua L; Zwier, Matthew C; LeBard, David N; Zuckerman, Daniel M; Chong, Lillian T

Molecular Analysis of pSK1 par: A Novel Plasmid Partitioning System Encoded by Staphylococcal Multiresistance Plasmids

pSK1 par 的分子分析:一种由葡萄球菌多重耐药质粒编码的新型质粒分配系统

Chan, Helena Y; Jensen, Slade O; LeBard, Rebecca J; Figgett, William A; Lai, Evelyn; Simpson, Alice E; Brzoska, Anthony J; Davies, Danielle S; Connolly, Angela M; Cordwell, Stuart J; Travis, Brady A; Salinas, Raul; Skurray, Ronald A; Firth, Neville; Schumacher, Maria A

Availability and advertising of sugar sweetened beverages in South African public primary schools following a voluntary pledge by a major beverage company: a mixed methods study

南非一家大型饮料公司自愿承诺后,含糖饮料在南非公立小学的供应和广告情况:一项混合方法研究

Erzse, Agnes; Christofides, Nicola; Stacey, Nicholas; Lebard, Kelsey; Foley, Louise; Hofman, Karen

TCR triggering by pMHC ligands tethered on surfaces via poly(ethylene glycol) depends on polymer length

通过聚乙二醇固定在表面的 pMHC 配体触发 TCR 取决于聚合物的长度

Zhengyu Ma, David N LeBard, Sharon M Loverde, Kim A Sharp, Michael L Klein, Dennis E Discher, Terri H Finkel

Exploring volatile general anesthetic binding to a closed membrane-bound bacterial voltage-gated sodium channel via computation

利用计算方法探索挥发性全身麻醉剂与封闭的膜结合细菌电压门控钠通道的结合。

Raju, S G; Barber, Annika F; LeBard, David N; Klein, Michael L; Carnevale, Vincenzo