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Journal of Chemical Information and Modeling|December 13, 2025
A Hybrid OPES-eABF Framework for Efficient Exploration and Data-Driven Collective Variable Discovery in Complex Free-Energy LandscapesGourav Chakraborty, Niladri PatraJournal of Chemical Information and Modeling|November 13, 2025
Mapping Conformational and Kinetic Landscapes of 14-3-3σ/α-Synuclein Assembly via Variational Autoencoders and Markov State ModelsGourav Chakraborty, Niladri PatraThe Journal of Physical Chemistry. B|June 10, 2024
Elucidating the Molecular Basis of 14-3-3 Interaction with α-Synuclein: Insights from Molecular Dynamics Simulations and the Design of a Novel Protein-Protein Interaction InhibitorGourav Chakraborty, Niladri PatraThe Journal of Physical Chemistry. B|July 7, 2025
Mechanistic Insights into Ligand-Mediated Modulation of 14-3-3η/Parkin Interaction through Molecular Dynamics and Enhanced Sampling SimulationsGourav Chakraborty, Upasana Deka, Niladri PatraInternational Journal of Biological Macromolecules|December 12, 2024
Effect of ultrasonication on OSA esterified surface modification of sorghum (Sorghum bicolor (L.) Moench) starchGourav Chakraborty, Yogesh Kumar, Vijay Singh SharanagatAquatic Toxicology (Amsterdam, Netherlands)|December 12, 2024
Tributyl phosphate inhibits neurogenesis and motor functions during embryonic development in zebrafishGourav Chakraborty, Bhagyashri Joshi, Kedar Ahire, et al.Physical Chemistry Chemical Physics : PCCP|February 11, 2025
Optimizing oil detachment from silica surfaces using gemini surfactants and functionalized silica nanoparticles: a combined molecular dynamics and machine learning approachGourav Chakraborty, Keka Ojha, Ajay Mandal, et al.International Journal of Biological Macromolecules|September 19, 2025
Unlocking the synergy of oils and mung bean protein nanoparticles to develop Pickering emulsions: Characterization, optimization, and stabilitySrishti Upadhyay, Vijay Singh Sharanagat, Gourav Chakraborty, et al.International Journal of Biological Macromolecules|January 15, 2026
Ultrasound + octenyl succinic anhydride modified starch as a hydrogelator for the fabrication of hybrid gels and its application in compound chocolateGourav Chakraborty, Vijay Singh Sharanagat, Srishti Upadhyay, et al.Inorganic Chemistry|May 18, 2026
Element-Ligand Cooperativity of Hypervalent Organotin(IV) Compounds in Hydroboration Reaction of Carbonyl CompoundsSudipta Chakraborty, Debayan Basu, Gourav Chakraborty, et al.Pageof 2