Lance M. Westerhoff

Publication Activity (10 Years)

Years Active: 2010-2022
Publications (10 Years): 3

Top Topics

Molecular Dynamics

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Wenlang Liu, Zhenhao Liu, Hao Liu, Lance M. Westerhoff, Zheng Zheng
Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein-Ligand Sampling. J. Chem. Inf. Model. 62 (22) (2022)
Oleg Y. Borbulevych, Roger I. Martin, Lance M. Westerhoff
The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design. J. Comput. Aided Mol. Des. 35 (4) (2021)
Zheng Zheng, Oleg Y. Borbulevych, Hao Liu, Jianpeng Deng, Roger I. Martin, Lance M. Westerhoff
MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment. J. Chem. Inf. Model. 60 (11) (2020)
Xiaohua Zhang, Alan C. Gibbs, Charles H. Reynolds, Martin B. Peters, Lance M. Westerhoff
Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design. J. Chem. Inf. Model. 50 (4) (2010)