Publications by authors named "Samik Bose"

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Markov State Models with Weighted Ensemble Simulation: How to Eliminate the Trajectory Merging Bias.
Samik Bose, Ceren Kilinc, Alex Dickson

J Chem Theory Comput· February 2025

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How Robust Is the Ligand Binding Transition State?
Samik Bose, Samuel D Lotz, Indrajit Deb, Megan Shuck, Kin Sing Stephen Lee

J Am Chem Soc· November 2023

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Flexible Topology: A Dynamic Model of a Continuous Chemical Space.
Nazanin Donyapour, Fatemeh Fathi Niazi, Nicole M Roussey, Samik Bose, Alex Dickson

J Chem Theory Comput· August 2023

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Support Vector Regression-Based Monte Carlo Simulation of Flexible Water Clusters.
Samik Bose, Suman Chakrabarty, Debashree Ghosh

ACS Omega· April 2020

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Machine learning prediction of interaction energies in rigid water clusters.
Samik Bose, Diksha Dhawan, Sutanu Nandi, Ram Rup Sarkar, Debashree Ghosh

Phys Chem Chem Phys· September 2018

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Effect of solvation on the ionization of guanine nucleotide: A hybrid QM/EFP study.
Rahul Chakraborty, Samik Bose, Debashree Ghosh

J Comput Chem· November 2017

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An interaction energy driven biased sampling technique: A faster route to ionization spectra in condensed phase.
Samik Bose, Debashree Ghosh

J Comput Chem· October 2017

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Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach.
Samik Bose, Suman Chakrabarty, Debashree Ghosh

J Phys Chem B· May 2017

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Effect of Solvation on Electron Detachment and Excitation Energies of a Green Fluorescent Protein Chromophore Variant.
Samik Bose, Suman Chakrabarty, Debashree Ghosh

J Phys Chem B· May 2016

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