Rajat Kumar Pal

Employment

Employment history is unavailable.

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (13)

• p70S6K as a Potential Anti-COVID-19 Target: Insights from Wet Bench and In Silico Studies
  Cells 2024 DOI: 10.3390/cells13211760
  +Save
• Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method
  Journal of Chemical Information and Modeling 2022 DOI: 10.1021/acs.jcim.1c01129
  +Save
• New tetrahydroisoquinoline-based D3R ligands with an o-xylenyl linker motif
  Bioorganic and Medicinal Chemistry Letters 2021 DOI: 10.1016/j.bmcl.2021.128047
  +Save
• Relative binding free energy calculations for ligands with diverse scaffolds with the alchemical transfer method
  Arxiv 2021 DOI: 10.48550/arxiv.2107.05153
  +Save
• Inclusion of enclosed hydration effects in the binding free energy estimation of Dopamine D3 receptor complexes
  Arxiv 2019 DOI: 10.48550/arxiv.1904.11058
  +Save
• Inclusion of enclosed hydration effects in the binding free energy estimation of dopamine D3 receptor complexes
  Plos One 2019 DOI: 10.1371/journal.pone.0222902
  +Save
• Perturbation Potentials to Overcome Order/Disorder Transitions in Alchemical Binding Free Energy Calculations
  Arxiv 2019 DOI: 10.48550/arxiv.1907.06636
  +Save
• Perturbation potentials to overcome order/disorder transitions in alchemical binding free energy calculations
  Journal of Chemical Physics 2019 DOI: 10.1063/1.5123154
  +Save
• New Dopamine D3-Selective Receptor Ligands Containing a 6-Methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol Motif
  ACS Medicinal Chemistry Letters 2018 DOI: 10.1021/acsmedchemlett.8b00229
  +Save
• 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 2017 DOI: 10.1007/s10822-016-9956-6
  +Save