Nishanth N Nair

23PUBLICATIONS
17CO-AUTHORS
Theoretical quantum chemistryTime series and spatial modellingChemical thermodynamics and energeticsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Medical infection agents (incl. prions)
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Publications (23)

|May 22, 2026
Steric Induced Inhibition of Serine β -Lactamase Catalyzed Hydrolysis.

|Jan 23, 2026
Kinetics of barrier crossing events from temperature accelerated sliced sampling simulations.

Sameer Saurav, Debjit Das, Ramsha Javed

|Dec 03, 2025
Nature of Hydrated Electron in Varied Solvation Environments.

Ritama Kar, Nisanth N Nair

|Jun 05, 2025
Solute Tempered Adiabatic Free Energy Dynamics for Enhancing Conformational Space Sampling.

Shitanshu Bajpai, Charlles R A Abreu, Nisanth N Nair

|Mar 03, 2025
Dual-Functional Antibiotic Adjuvant Displays Potency against Complicated Gram-Negative Bacterial Infections and Exhibits Immunomodulatory Properties.

Geetika Dhanda, Himani Singh, Abhinav Gupta

|Sep 30, 2024
Buckets Instead of Umbrellas for Enhanced Sampling and Free Energy Calculations.

Ramsha Javed, Anji Babu Kapakayala, Nisanth N Nair

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Frequent Collaborators

2 joint publications

Bernd Meyer

2 joint publications

Jayanta Haldar

1 joint publications

Giuseppe Fisicaro

1 joint publications

Sidharth Chopra