Brian K. Radak

According to our database, Brian K. Radak authored at least 4 papers between 2013 and 2020.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2020

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

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

J. Chem. Inf. Model., 2020

Rigorous Free Energy Simulations in Virtual Screening.

Zoe Cournia, Bryce K. Allen, Thijs Beuming, David A. Pearlman, Brian K. Radak, Woody Sherman

J. Chem. Inf. Model., 2020

Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD.

Haochuan Chen, Julio D. C. Maia, Brian K. Radak, David J. Hardy, Wensheng Cai, Christophe Chipot, Emad Tajkhorshid

J. Chem. Inf. Model., 2020

2013

A framework for flexible and scalable replica-exchange on production distributed CI.

Brian K. Radak, Tai-Sung Lee, Peng He, Melissa Romanus, Ole Weidner, Wei Dai, Emilio Gallicchio, Nan-Jie Deng, Darrin M. York, Ronald M. Levy, Shantenu Jha

Proceedings of the Extreme Science and Engineering Discovery Environment: Gateway to Discovery, 2013