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Lane William Votapka (Lane Votapka, Lane W Votapka)

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 4

Top Topics

Virtual Reality

Molecular Dynamics

Binding Protein

Top Venues

The journal of physical chemistry. B

Chemical science

Journal of chemical information and modeling

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

Publications

Anupam Anand Ojha, Ambuj Srivastava, Lane William Votapka, Rommie Elizabeth Amaro
Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations. Journal of chemical information and modeling (2023)
Anupam Anand Ojha, Lane William Votapka, Rommie Elizabeth Amaro
QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations. Chemical science 14 (45) (2023)
Matthew M Copeland, Hung N Do, Lane William Votapka, Keya Joshi, Jinan Wang, Rommie Elizabeth Amaro, Yinglong Miao
Gaussian Accelerated Molecular Dynamics in OpenMM. The journal of physical chemistry. B 126 (31) (2022)
Lane William Votapka, Benjamin R Jagger, Alexandra L Heyneman, Rommie Elizabeth Amaro
SEEKR: Simulation Enabled Estimation of Kinetic Rates, A Computational Tool to Estimate Molecular Kinetics and Its Application to Trypsin-Benzamidine Binding. The journal of physical chemistry. B 121 (15) (2017)