Supplement Number 1

Name: Supplement Number 1
Published: 2025-08-19T12:09:23+00:00
License: https://creativecommons.org/licenses/by-nc/4.0/
Keywords: Molecular Dynamics, Weighted Ensemble, Rare event kinetics

https://doi.org/10.60893/figshare.jcp.29635763

dataset

posted on 2025-08-19, 12:09 authored by Praveen Ranganath Prabhakar, Dhiman Ray, Ioan Andricioaei

Parameters used for Weighted Ensemble simulations and the coefficients corresponding to the construction of the HLDA collective variable are attached in the supplementary materials file.

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DOI - Is supplement to Discriminant Analysis Optimizes Progress Coordinate in Weighted Ensemble Simulations of Rare Event Kinetics

Supplement Number 1

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