Jacob I. Monroe

Publication Activity (10 Years)

Years Active: 2014-2020
Publications (10 Years): 1

Top Topics

Simulation Tools

Generalized Belief Propagation

Computing Systems

Top Venues

J. Comput. Aided Mol. Des.

Publications

Vikram Khanna, Jacob I. Monroe, Michael F. Doherty, Baron Peters
Performing solvation free energy calculations in LAMMPS using the decoupling approach. J. Comput. Aided Mol. Des. 34 (6) (2020)
Jacob I. Monroe, Michael R. Shirts
Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations. J. Comput. Aided Mol. Des. 28 (4) (2014)