IBBR Publications

Found 2 results
Filters: Author is Rupakheti, Chetan  [Clear All Filters]
2020
Lin F-Y, Huang J, Pandey P, Rupakheti C, Li J, Roux B, Mackerell AD. Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field. J Chem Theory Comput. 2020 .
2018
Boulanger E, Huang L, Rupakheti C, Mackerell AD, Roux B. Optimized Lennard-Jones Parameters for Druglike Small Molecules. J Chem Theory Comput. 2018 .