Brian K Radak

ORCID

Publication Activity (10 Years)

Years Active: 2017-2021
Publications (10 Years): 13

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Journal of chemical information and modeling

Silicon Therapeutics

University of Minnesota System (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Silicon Therapeutics

United States

Senior Investigator

University of Illinois at Urbana-Champaign

United States

Research Programmer

Argonne National Laboratory

United States

Postdoctoral Appointee - Theta Early Science Program :: Leadership Computing Facility

University of Chicago

United States

Postdoctoral Scholar - Membrane Protein Structural Dynamics Consortium :: Biochemistry & Molecular Biology

Education History

University of Minnesota System

United States

PHD :: Department of Chemistry

Northwestern University

United States

MSC

Publications

Ido Y Ben Shalom, Charles Lin, Brian K Radak, Woody Sherman, Michael K Gilson
Fast Equilibration of Water between Buried Sites and the Bulk by Molecular Dynamics with Parallel Monte Carlo Water Moves on Graphical Processing Units. Journal of chemical theory and computation (2021)
Pengfei Li, Zhijie Li, Yu Wang, Huaixia Dou, Brian K Radak, Bryce K Allen, Woody Sherman, Huafeng Xu
Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences. Journal of chemical theory and computation (2021)
Tai-Sung Lee, Zhixiong Lin, Bryce K Allen, Charles Lin, Brian K Radak, Yujun Tao, Hsu-Chun Tsai, Woody Sherman, Darrin M York
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials. Journal of chemical theory and computation 16 (9) (2020)
Tai-Sung Lee, Bryce K Allen, Timothy J Giese, Zhenyu Guo, Pengfei Li, Charles Lin, T Dwight McGee, David A Pearlman, Brian K Radak, Yujun Tao, Hsu-Chun Tsai, Huafeng Xu, Woody Sherman, Darrin M York
Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery. Journal of chemical information and modeling 60 (11) (2020)
Ido Y Ben Shalom, Zhixiong Lin, Brian K Radak, Charles Lin, Woody Sherman, Michael K Gilson
Accounting for the Central Role of Interfacial Water in Protein-Ligand Binding Free Energy Calculations. Journal of chemical theory and computation 16 (12) (2020)
Haochuan Chen, Julio D C Maia, Brian K Radak, David J Hardy, Wensheng Cai, Christophe J Chipot, Emad Tajkhorshid
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. Journal of chemical information and modeling 60 (11) (2020)
Zoe Cournia, Bryce K Allen, Thijs Beuming, David A Pearlman, Brian K Radak, Woody Sherman
Rigorous Free Energy Simulations in Virtual Screening. Journal of chemical information and modeling 60 (9) (2020)
James C Phillips, David J Hardy, Julio D C Maia, John E Stone, João V Ribeiro, Rafael C Bernardi, Ronak Buch, Giacomo Fiorin, Jérôme Hénin, Wei Jiang, Ryan McGreevy, Marcelo Cardoso Dos Reis Melo, Brian K Radak, Robert D Skeel, Abhishek Singharoy, Yi Wang, Benoı T Roux, Aleksei Aksimentiev, Zaida Luthey-Schulten, Laxmikant V Kalé, Klaus Schulten, Christophe J Chipot, Emad Tajkhorshid
Scalable molecular dynamics on CPU and GPU architectures with NAMD. The Journal of chemical physics 153 (4) (2020)
Brian K Radak, Christophe J Chipot, Donghyuk Suh, Sunhwan Jo, Wei Jiang, James C Phillips, Klaus Schulten, Benoı T Roux
Correction to Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems. Journal of chemical theory and computation 14 (12) (2018)
Brian K Radak, Donghyuk Suh, Benoı T Roux
A generalized linear response framework for expanded ensemble and replica exchange simulations. The Journal of chemical physics 149 (7) (2018)
Donghyuk Suh, Brian K Radak, Christophe Chipot, Benoît Roux
Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator. The Journal of chemical physics 148 (1) (2018)
Ming Huang, Thakshila Dissanayake, Erich Kuechler, Brian K Radak, Tai-Sung Lee, Timothy J Giese, Darrin M York
A Multidimensional B-Spline Correction for Accurate Modeling Sugar Puckering in QM/MM Simulations. Journal of chemical theory and computation 13 (9) (2017)
Brian K Radak, Christophe J Chipot, Donghyuk Suh, Sunhwan Jo, Wei Jiang, James C Phillips, Klaus Schulten, Benoı T Roux
Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems. Journal of chemical theory and computation 13 (12) (2017)

Brian K Radak.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Brian K Radak