Samarjeet Samarjeet

Samarjeet Samarjeet

BS, Indian Institute of Technology Kanpur
Alumni
Thesis Lab: 
Wolfe Lab
Selected Publications:
Prasad, S., Huang, J., Zeng, Q., Brooks, BR., 2018, An explicit-solvent hybrid QM and MM approach for predicting pKa of smallmolecules in SAMPL6 challenge, J Comput Aided Mol Des. 32(10):1191-1201, PMID: 30276503. PubMed  
Braun, E., Gilmer, J., Mayes, H., Mobley, D., Monroe, J., Samarjeet, S.P., Zuckerman, D., 2018, Best Practices for Foundations in Molecular Simulations 
König, G., Pickard, FC., Huang, J., Simmonett, AC., Tofoleanu, F., Lee, J., Dral, PO., Prasad, S., Jones, M., Shao, Y., Thiel, W., Brooks, BR., 2016, Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexanetransfer in the SAMPL5 challenge, J Comput Aided Mol Des. 2016 Nov;30(11):989-1006. PMID: 27577746 PubMed  
Beginning year: 
2012
Graduation year: 
2019
Position: 
Postdoctoral Fellow
Affiliation: 
NHLBI/NIH
Affiliation type: 
Government
Position type: 
Postdoctoral Fellow