Nisanth N Nair

Employment

• Indian Institute of Technology Kanpur Professor
  2008 - Present

Education

Education history is unavailable.

Projects & Funding

Projects & funding information is unavailable.

Publications (97)

• Protonation states of class-C $$\varvec{\beta}$$-lactamases determined by a combination of thermodynamic integration and unified free energy dynamics
  Journal of Chemical Sciences 2026 DOI: 10.1007/s12039-025-02450-2
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• Steric Induced Inhibition of Serine β–Lactamase Catalyzed Hydrolysis
  ChemPhysChem 2026 DOI: 10.1002/cphc.70414
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• Kinetics of barrier crossing events from temperature accelerated sliced sampling simulations
  Physical Chemistry Chemical Physics 2026 DOI: 10.1039/D5CP03448E
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• Nature of Hydrated Electron in Varied Solvation Environments
  The Journal of Physical Chemistry B 2025 DOI: 10.1021/acs.jpcb.5c03980
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• Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space Sampling
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c00717
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• Linear Antimicrobial Peptide, Containing a Diindolyl Methane Unnatural Amino Acid, Potentiates Gentamicin Against Methicillin‐Resistant Staphylococcus aureus
  Drug Development Research 2025 DOI: 10.1002/ddr.70070
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• Dual-Functional Antibiotic Adjuvant Displays Potency against Complicated Gram-Negative Bacterial Infections and Exhibits Immunomodulatory Properties
  ACS Central Science 2025 DOI: 10.1021/acscentsci.4c02060
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• Buckets Instead of Umbrellas for Enhanced Sampling and Free Energy Calculations
  Journal of Chemical Theory and Computation 2024 DOI: 10.1021/acs.jctc.4c00776
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• A Comprehensive Study of Factors Affecting the Prediction of the pKa Shift of Asp26 in Thioredoxin Protein
  The Journal of Physical Chemistry B 2024 DOI: 10.1021/acs.jpcb.4c01516
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• Synthesis of a highly thermostable insulin by phenylalanine conjugation at B29 Lysine
  Communications Chemistry 2024 DOI: 10.1038/s42004-024-01241-z
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