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

Benchmarking Adaptive Steered Molecular Dynamics (ASMD) on CHARMM Force Fields

在 CHARMM 力场上对自适应导向分子动力学 (ASMD) 进行基准测试

Allen, Caley; Bureau, Hailey R; McGee, T Dwight Jr; Quirk, Stephen; Hernandez, Rigoberto

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

AMBER20中的炼金术结合自由能计算:药物发现的进展和最佳实践

Lee, Tai-Sung; Allen, Bryce K; Giese, Timothy J; Guo, Zhenyu; Li, Pengfei; Lin, Charles; McGee, T Dwight Jr; Pearlman, David A; Radak, Brian K; Tao, Yujun; Tsai, Hsu-Chun; Xu, Huafeng; Sherman, Woody; York, Darrin M

Identification of Zika Virus Inhibitors Using Homology Modeling and Similarity-Based Screening to Target Glycoprotein E

利用同源建模和基于相似性的筛选方法鉴定靶向糖蛋白E的寨卡病毒抑制剂

Telehany, Stephen M; Humby, Monica S; McGee, T Dwight Jr; Riley, Sean P; Jacobs, Amy; Rizzo, Robert C

Structure-based identification of inhibitors targeting obstruction of the HIVgp41 N-heptad repeat trimer

基于结构的抑制剂鉴定靶向阻断 HIVgp41 N-七肽重复三聚体的抑制剂

McGee, T Dwight Jr; Yi, Hyun Ah; Allen, William J; Jacobs, Amy; Rizzo, Robert C