guiding-peptide-kinetics

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Alexander Zhilkin, Dan Mendels
DOI: 10.5281/zenodo.18864705
Cited by: 0

Abstract

Code and analysis scripts accompanying the study “Guiding Peptide Conformational Kinetics via Collective-Variable Control of Free-Energy Barriers.” The repository contains scripts and input files used to construct HLDA-based collective variables, analyze simulation data, compute mean first-passage times (MFPTs), and reproduce the figures presented in the manuscript for the Chignolin point-mutation study.

Fields of Study & Subjects

Protein Structure and Dynamics Chemical Synthesis and Analysis Advanced Physical and Chemical Molecular Interactions

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
4 March 2026
Language
EN