Vaishali Thakkur

Employment

• Chegg Inc Subject Matter Expert
  2017 - 2018

Education

• University of California Berkeley Fulbright visiting student researcher
  2022 - 2023
• Indian Institute of Technology Kanpur PhD
  2018 - Present
• Indian Institute of Technology Delhi M.Sc.
  2015 - 2017
• Kirori Mal College Department of Zoology B.Sc.
  2011 - 2014

Projects & Funding

Projects & funding information is unavailable.

Publications (4)

• Steric Induced Inhibition of Serine β–Lactamase Catalyzed Hydrolysis
  Vaishali Thakkur, Chandan Kumar Das, Shivani Verma +2 more
  ChemPhysChem 2026 DOI: 10.1002/cphc.70414
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• Speeding-up Hybrid Functional-Based Ab Initio Molecular Dynamics Using Multiple Time-stepping and Resonance-Free Thermostat
  Ritama Kar, Sagarmoy Mandal, Vaishali Thakkur +2 more
  Journal of Chemical Theory and Computation 2023 DOI: 10.1021/acs.jctc.3c00964
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• Inhibition Mechanism of Class D β-Lactamases by Avibactam
  Vaishali Thakkur, Chandan Kumar Das, Nisanth N. Nair
  ACS Catalysis 2022 DOI: 10.1021/acscatal.2c02693
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• Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based Ab Initio Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in Solution
  Sagarmoy Mandal, Vaishali Thakkur, Nisanth N. Nair
  Journal of Chemical Theory and Computation 2021 DOI: 10.1021/acs.jctc.1c00009
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