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Lane W. Votapka
ORCID
Publication Activity (10 Years)
Years Active: 2015-2023
Publications (10 Years): 3
Top Topics
Molecular Dynamics
Multiscale
Fine Grained
Protein Folding
Top Venues
J. Chem. Inf. Model.
PLoS Comput. Biol.
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Publications
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Anupam Anand Ojha
,
Ambuj Srivastava
,
Lane W. Votapka
,
Rommie E. Amaro
Selectivity and Ranking of Tight-Binding JAK-STAT Inhibitors Using Markovian Milestoning with Voronoi Tessellations.
J. Chem. Inf. Model.
63 (8) (2023)
Lane W. Votapka
,
Andrew M. Stokely
,
Anupam A. Ojha
,
Rommie E. Amaro
SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics Engine.
J. Chem. Inf. Model.
62 (13) (2022)
Lane W. Votapka
,
Rommie E. Amaro
Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning.
PLoS Comput. Biol.
11 (10) (2015)