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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Free energy profile

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3 results in Keywords: Free energy profile

Physical Chemistry

A Benchmark Test on the Leapfrog Integrator and its Middle Alternative

Version 1 posted 09 February 2021

416

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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

647

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1

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Theoretical and Computational Chemistry

Dynamic Interchange Between Two Protonation States is Characteristic of Active Sites of Cholinesterases

Alexander Zlobin, Ivan Smirnov, Andrey Golovin

Version 1 posted 23 January 2024

171

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