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Journal of Chemical Information and Modeling|April 12, 2024
Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM SimulationsDhiman Ray, Sudip Das, Umberto RaucciScientific Reports|March 29, 2017
Inelastic electron injection in a water chainValerio Rizzi, Tchavdar N Todorov, Jorge J KohanoffJournal of Chemical Theory and Computation|July 18, 2019
Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant AnalysisValerio Rizzi, Dan Mendels, Emilia Sicilia, et al.Journal of the American Chemical Society|August 16, 2021
Water-Triggered, Irreversible Conformational Change of SARS-CoV-2 Main Protease on Passing from the Solid State to Aqueous SolutionNarjes Ansari, Valerio Rizzi, Paolo Carloni, et al.Journal of Chemical Information and Modeling|September 1, 2022
Force-Field-Dependent DNA Breathing Dynamics: A Case Study of Hoogsteen Base Pairing in A6-DNASharon Emily Stone, Dhiman Ray, Ioan AndricioaeiThe Journal of Chemical Physics|August 19, 2025
Discriminant analysis optimizes progress coordinate in weighted ensemble simulations of rare event kineticsPraveen Ranganath Prabhakar, Dhiman Ray, Ioan AndricioaeiNature Communications|January 5, 2021
The role of water in host-guest interactionValerio Rizzi, Luigi Bonati, Narjes Ansari, et al.The Journal of Physical Chemistry. A|May 11, 2019
Controlling Electron Dynamics with Carrier-Envelope Phases of a Laser PulseDiptesh Dey, Dhiman Ray, Ashwani K TiwariThe Journal of Chemical Physics|March 24, 2019
Effects of alloying on mode-selectivity in H2O dissociation on Cu/Ni bimetallic surfacesSmita Ghosh, Dhiman Ray, Ashwani K TiwariJournal of Chemical Theory and Computation|December 15, 2021
Markovian Weighted Ensemble Milestoning (M-WEM): Long-Time Kinetics from Short TrajectoriesDhiman Ray, Sharon Emily Stone, Ioan AndricioaeiPageof 6