Srabani Taraphder

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Publications (43)

• Exploring the conformation-dependent reactivity and dynamics of a dinucleotide inhibitor of ribonuclease A
  Physical Chemistry Chemical Physics 2026 DOI: 10.1039/D5CP04621A
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• Dynamics of the conformation dependent unbinding of an inhibitor of ribonuclease A
  Chemical Physics Impact 2026 DOI: 10.1016/j.chphi.2026.101070
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• Enhanced Sampling and Conformation-Dependent pKa of Histidine Side Chains: A Case Study in Human Carbonic Anhydrase II
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c00529
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• Effect of Glycosylation on the Reorganization at the Active Site of Human Carbonic Anhydrase IX
  ChemPhysChem 2025 DOI: 10.1002/cphc.202500573
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• Molecular Modeling of Glycosylated Catalytic Domain of Human Carbonic Anhydrase IX
  The Journal of Physical Chemistry B 2024 DOI: 10.1021/acs.jpcb.4c03514
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• Structure and non-reactive dynamics of the dimeric catalytic domain of human carbonic anhydrase IX
  Chemical Physics Impact 2024 DOI: 10.1016/J.CHPHI.2024.100625
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• A Case Study on the Use of Binding Free Energies to Screen Inhibitors of Human Carbonic Anhydrase II
  ChemPhysChem 2023 DOI: 10.1002/CPHC.202200770
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• Dynamics of an inhibitor at and away from an out-of-active site binding location in human carbonic anhydrase II
  Chemical Physics Impact 2023 DOI: 10.1016/J.CHPHI.2023.100329
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• pH-Dependent Structure and Dynamics of the Catalytic Domains of Human Carbonic Anhydrase II and IX
  The Journal of Physical Chemistry B 2023 DOI: 10.1021/ACS.JPCB.3C04721
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• Structure and Dynamics of the Isozymes II and IX of Human Carbonic Anhydrase
  ACS Omega 2022 DOI: 10.1021/ACSOMEGA.2C03356
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