Rajat K. Pal
Affiliations: | 2015-2020 | Chemistry | Brooklyn College of CUNY |
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Publications
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| Azimi S, Khuttan S, Wu JZ, et al. (2022) Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. Journal of Chemical Information and Modeling |
| Cordone P, Namballa HK, Muniz B, et al. (2021) New tetrahydroisoquinoline-based DR ligands with an o-xylenyl linker motif. Bioorganic & Medicinal Chemistry Letters. 128047 |
| Pal RK, Gallicchio E. (2019) Perturbation potentials to overcome order/disorder transitions in alchemical binding free energy calculations. The Journal of Chemical Physics. 151: 124116 |
| Pal RK, Gadhiya S, Ramsey S, et al. (2019) Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes. Plos One. 14: e0222902 |
| Gadhiya S, Cordone P, Pal RK, et al. (2018) New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif. Acs Medicinal Chemistry Letters. 9: 990-995 |
| Murelli RP, D'Erasmo MP, Hirsch DR, et al. (2016) Synthetic α-Hydroxytropolones as Inhibitors of HIV Reverse Transcriptase Ribonuclease H Activity. Medchemcomm. 7: 1783-1788 |
| Pal RK, Haider K, Kaur D, et al. (2016) Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. Journal of Computer-Aided Molecular Design |
| Pal RK, Haider K, Kaur D, et al. (2016) A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge. Journal of Computer-Aided Molecular Design |