Debabrata Pramanik

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Publications (18)

• Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors
  Journal of Biomolecular Structure and Dynamics 2021 DOI: 10.1080/07391102.2021.1937319
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• On the phase behaviour of pure PSPC and PEGylated multi-component lipid and their interaction with Paclitaxel: An all-atom MD study
  arXiv 2021
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• Phase Behavior of Pure PSPC and PEGylated Multicomponent Lipid and Their Interaction with Paclitaxel: An All-Atom MD Study
  Langmuir 2021 DOI: 10.1021/acs.langmuir.1c01049
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• Dendrimers: A novel nanomaterial
  Springer Series in Materials Science 2021 DOI: 10.1007/978-3-030-18778-1_19
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• Integrated docking and enhanced sampling based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors
  ChemRxiv 2020 DOI: 10.26434/chemrxiv.13369763.v1
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• Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods
  ChemRxiv 2020 DOI: 10.26434/chemrxiv.12254135.v3
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• Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation
  Journal of Physical Chemistry B 2019 DOI: 10.1021/acs.jpcb.9b01813
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• Can one trust kinetic and thermodynamic observables from biased metadynamics simulations: Detailed quantitative benchmarks on millimolar drug fragment dissociation
  bioRxiv 2019 DOI: 10.1101/558601
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• Kinetics of Ligand-Protein Dissociation from All-Atom Simulations: Are We There Yet?
  Biochemistry 2019 DOI: 10.1021/acs.biochem.8b00977
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• Ligand dissociation mechanisms from all-atom simulations: Are we there yet?
  arXiv 2018
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