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Biological and Medicinal Chemistry

Working Paper

Molecular Docking and Dynamics Simulation Study of Telomerase Inhibitors as Potential Anti-Cancer Agents

Sherin D R, Thanathu Krishnan Manojkumar, R. Prakash Chandran, Sobha V Nair

Version 1 posted 07 May 2020

427

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Organic Chemistry

Working Paper

Dynamics of Individual Molecular Shuttles Under Mechanical Force

Teresa Naranjo, Kateryna Lemishko, Sara de Lorenzo, Alvaro Somoza, Felix Ritort, Emilio Pérez, Borja Ibarra

Version 1 posted 10 October 2018

565

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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

1,043

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Physical Chemistry

Working Paper

The Necessity of Periodic Boundary Conditions for the Accurate Calculation of Crystalline Terahertz Spectra

Peter Banks, Luke burgess, Michael Ruggiero

Version 1 posted 24 December 2020

491

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2

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Catalysis

Working Paper

Catalytic Resonance Theory: Parallel Reaction Pathway Control

M. Alexander Ardagh, Manish Shetty, Anatoliy Kuznetsov, Qi Zhang, Phillip Christopher, Dionisios Vlachos, Omar Abdelrahman, Paul Dauenhauer

Version 1 posted 15 November 2019

779

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Physical Chemistry

Working Paper

On the role charge ordering in the dynamics of cluster formation in associated liquids

Bernarda Lovrincevic, Martina Pozar, Ivo Jukic, Aurélien PERERA

Version 1 posted 19 December 2022

97

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Organic Chemistry

Working Paper

Addition Coupled Electron Transfer (ACET) and Addition Coupled Electron Coupled Proton Transfer (ACPCET)

Yumiao Ma, Aqeel Hussein

Version 4 posted 10 March 2022

622

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2

Citations

Physical Chemistry

Working Paper

Low-frequency (gigahertz to terahertz) depolarized Raman scattering off n-alkanes, cycloalkanes, and six-membered rings: a physical interpretation

Andrew J. Farrell, Mario González Jiménez, Gopakumar Ramakrishnan, Klaas Wynne

Version 1 posted 13 May 2020

358

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Catalysis

Working Paper

The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance

Manish Shetty, Amber Walton, Sallye R. Gathmann, M. Alexander Ardagh, Joshua Gopeesingh, Joaquin Resasco, Turan Birol, Qi Zhang, Michael Tsapatsis, Dionisios Vlachos, Phillip Christopher, C. Daniel Frisbie, Omar Abdelrahman, Paul Dauenhauer

Version 1 posted 24 August 2020

743

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Materials Science

Working Paper

Solute effects on dynamics and deformation of emulsion droplets during freezing

Sidhanth Tyagi, Cécile Monteux, Sylvain Deville

Version 2 posted 15 February 2022

492

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Refine Search

37 results in dynamics in Keywords: dynamics

Molecular Docking and Dynamics Simulation Study of Telomerase Inhibitors as Potential Anti-Cancer Agents

Dynamics of Individual Molecular Shuttles Under Mechanical Force

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

The Necessity of Periodic Boundary Conditions for the Accurate Calculation of Crystalline Terahertz Spectra

Catalytic Resonance Theory: Parallel Reaction Pathway Control

On the role charge ordering in the dynamics of cluster formation in associated liquids

Addition Coupled Electron Transfer (ACET) and Addition Coupled Electron Coupled Proton Transfer (ACPCET)

Low-frequency (gigahertz to terahertz) depolarized Raman scattering off n-alkanes, cycloalkanes, and six-membered rings: a physical interpretation

The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance

Solute effects on dynamics and deformation of emulsion droplets during freezing

37 results in Keywords: dynamics