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Dhiman Ray

3 results in Authors: Dhiman Ray

Theoretical and Computational Chemistry

Enhanced Sampling with Sub-optimal Collective Variables: Reconciling Accuracy and Convergence Speed

Dhiman Ray, Valerio Rizzi

Version 1 posted 18 September 2024

213

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Theoretical and Computational Chemistry

Integrating Path Sampling with Enhanced Sampling for Rare-event Kinetics

Version 1 posted 18 September 2024

175

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Theoretical and Computational Chemistry

A Kinetic View of Enzyme Catalysis from Enhanced Sampling QM/MM Simulations

Dhiman Ray, Sudip Das, Umberto Raucci

Version 2 posted 19 March 2024

591

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