IBBR Publications

Found 3 results
Filters: Author is Pandey, Poonam  [Clear All Filters]
2021
Lind C, Pandey P, Pastor RW, Mackerell AD. Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive Saturation. J Chem Theory Comput. 2021 ;17(5):3188-3202.
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 .
2019
Pandey P, Aytenfisu AH, Mackerell AD, Mallajosyula SS. Drude Polarizable Force Field Parametrization of Carboxylate and N-acetyl Amine Carbohydrate Derivatives. J Chem Theory Comput. 2019 .