David A. Pearlman

According to our database, David A. Pearlman authored at least 7 papers between 1993 and 2021.

Collaborative distances:

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

2021

Quantum simulations of SARS-CoV-2 main protease M^pro enable high-quality scoring of diverse ligands.

Yuhang Wang, Sruthi Murlidaran, David A. Pearlman

J. Comput. Aided Mol. Des., 2021

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

1996

Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions.

Christophe Chipot, Peter A. Kollman, David A. Pearlman

J. Comput. Chem., 1996

1994

Free Energy Derivatives: A New Method for Probing the Convergence Problem in Free Energy Calculations.

David A. Pearlman

J. Comput. Chem., 1994

Free Energy Peturbation Calculations on Parallel Computers: Demonstrations of Scalable Linear Speedup.

Stephen E. DeBolt, David A. Pearlman, Peter A. Kollman

J. Comput. Chem., 1994

1993

CONCEPTS: New dynamic algorithm for <i>de novo</i> drug suggestion.

David A. Pearlman, Mark A. Murcko

J. Comput. Chem., 1993