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Biological and Medicinal Chemistry

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Reaction Coordinates

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3 results in Keywords: Reaction Coordinates

Theoretical and Computational Chemistry

Low Dimensional Representations along Intrinsic Reaction Coordinates and Molecular Dynamics Trajectories Using Interatomic Distance Matrices

Stephanie Hare, Lars Bratholm, David Glowacki, Barry Carpenter

Version 2 posted 05 June 2019

895

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1

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Biological and Medicinal Chemistry

Thermodynamic Insights of Base Flipping in TNA Duplex: Force Fields, Salt Concentrations, and Free Energy Simulation Methods

Zhaoxi Sun, John Z. H. Zhang

Version 1 posted 02 January 2020

701

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1

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Theoretical and Computational Chemistry

A Mode Evolution Metric to Extract Converged Reaction Coordinates for Biomolecular Conformational Transitions

Mitradip Das, Ravindra Venkatramani

Version 1 posted 27 February 2024

332

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