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Theoretical and Computational Chemistry

Working Paper

Understanding Conformational Entropy in Small Molecules

Lucian Chan, Garrett Morris, Geoffrey Hutchison

Version 2 posted 01 March 2021

2,828

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Chemical Education

Working Paper

Explaining the entropy concept and entropy components

Marko Popovic

Version 1 posted 25 September 2017

5,219

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Theoretical and Computational Chemistry

Working Paper

Long-Range Entropic Effects on Protein Intrinsically Disordered Regions

Joao Victor de Souza Cunha, Agnieszka K. Bronowska

Version 1 posted 12 February 2019

901

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Theoretical and Computational Chemistry

Working Paper

Protein-Ligand Binding Enthalpies from Near-Millisecond Simulations: Analysis of a Preorganization Paradox

Amanda Li, Michael Gilson

Version 1 posted 05 February 2018

1,070

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Theoretical and Computational Chemistry

Working Paper

Themis: A Software to Assess Association Free Energies via Direct Estimative of Partition Functions

Felippe Colombari, Asdrubal Lozada-Blanco, Kalil Bernardino, Weverson Gomes, André Farias de Moura

Version 2 posted 29 September 2020

616

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1

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Theoretical and Computational Chemistry

Working Paper

The Free Energy Density of a Fluid and its Role in Solvation and Binding

Michael K. Gilson, Tom Kurtzman

Version 4 posted 27 February 2024

709

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Inorganic Chemistry

Working Paper

Converting Heat to Electrical Energy Using Highly Charged Polyoxometalate Electrolytes

Erik Svensson Grape, Jiawei Huang, Dwaipayan Roychowdhury, Tekalign Debela, Haeun Chang, Andrew Jenkins, Alina Schimpf, Christopher Hendon, Carl Brozek

Version 1 posted 09 January 2024

358

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Catalysis

Working Paper

The Significant Differences in Solvation Thermodynamics of C1-C3 Oxygenates in Hydrophilic versus Hydrophobic Pores of a Hydrophilic Ti-FAU Zeolite Model

Xiuting Chen, Rachel Getman

Version 1 posted 17 June 2024

114

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Biological and Medicinal Chemistry

Review

Making sense of chaos: uncovering the mechanisms of conformational entropy

Stephanie Wankowicz, James Fraser

Version 3 posted 14 February 2024

2,062

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Theoretical and Computational Chemistry

Working Paper

Entropy of liquid water as predicted by the two-phase thermodynamic model and data-driven many-body potentials

Ching-Hwa Ho, Francesco Paesani

Version 1 posted 28 May 2024

145

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30 results in entropy in Keywords: entropy

Understanding Conformational Entropy in Small Molecules

Explaining the entropy concept and entropy components

Long-Range Entropic Effects on Protein Intrinsically Disordered Regions

Protein-Ligand Binding Enthalpies from Near-Millisecond Simulations: Analysis of a Preorganization Paradox

Themis: A Software to Assess Association Free Energies via Direct Estimative of Partition Functions

The Free Energy Density of a Fluid and its Role in Solvation and Binding

Converting Heat to Electrical Energy Using Highly Charged Polyoxometalate Electrolytes

The Significant Differences in Solvation Thermodynamics of C1-C3 Oxygenates in Hydrophilic versus Hydrophobic Pores of a Hydrophilic Ti-FAU Zeolite Model

Making sense of chaos: uncovering the mechanisms of conformational entropy

Entropy of liquid water as predicted by the two-phase thermodynamic model and data-driven many-body potentials

30 results in Keywords: entropy