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6 results in Authors: Mark A. Hix

Theoretical and Computational Chemistry

Working Paper

AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations

Mark A. Hix, Alice R. Walker

Version 2 posted 14 July 2023

595

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Theoretical and Computational Chemistry

Working Paper

Adaptive restraints to accelerate geometry optimizations of large biomolecular systems

Mark A. Hix, Alice R. Walker

Version 1 posted 21 June 2023

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Theoretical and Computational Chemistry

Working Paper

Combining Evolutionary Conservation and Quantum Topological Analyses to Determine QM Subsystems for Biomolecular QM/MM Simulations

Mark A. Hix, Emmett M. Leddin, G. Andres Cisneros

Version 2 posted 10 May 2021

469

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Theoretical and Computational Chemistry

Working Paper

Exploring the effects of mutagenesis on FusionRed using excited state QM/MM dynamics and classical force field simulations

Ashlyn Murphy, Mark Hix, Alice Walker

Version 1 posted 30 December 2022

197

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Physical Chemistry

Working Paper

Computational investigations of the excited state dynamics and quenching mechanisms of polycyclic aromatic hydrocarbon DNA adducts in solution

Solomon Yamoah Effah, W. K. D. N. Kaushalya, Mark A. Hix, Alice R. Walker

Version 1 posted 06 September 2022

203

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Theoretical and Computational Chemistry

Working Paper

Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

Mark A. Hix, G. Andres Cisneros

Version 2 posted 03 March 2020

580

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6 results in Mark A. Hix in Authors: Mark A. Hix

AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations

Adaptive restraints to accelerate geometry optimizations of large biomolecular systems

Combining Evolutionary Conservation and Quantum Topological Analyses to Determine QM Subsystems for Biomolecular QM/MM Simulations

Exploring the effects of mutagenesis on FusionRed using excited state QM/MM dynamics and classical force field simulations

Computational investigations of the excited state dynamics and quenching mechanisms of polycyclic aromatic hydrocarbon DNA adducts in solution

Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

6 results in Authors: Mark A. Hix