IBBR Publications

Found 2 results
Filters: Author is Eastman, Peter K  [Clear All Filters]
2018
Huang J, Lemkul JA, Eastman PK, Mackerell AD. Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarks. J Comput Chem. 2018 .
2016
Lee J, Cheng X, Swails JM, Yeom MSun, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JCheol, Qi Y, et al. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. J Chem Theory Comput. 2016 ;12(1):405-13.