List of works - Isaiah Sumner

A Conserved Asparagine in a Ubiquitin Conjugating Enzyme Positions the Substrate for Nucleophilic Attack

scientific article published on 29 August 2018

A conserved asparagine in a ubiquitin-conjugating enzyme positions the substrate for nucleophilic attack

scientific article published on 09 May 2019

Analysis of Hydrogen Tunneling in an Enzyme Active Site Using von Neumann Measurements ⬇️

scientific article published on January 1, 2010

Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory

scientific article published on 7 August 2008

Comment on “Revisiting the formation of cyclic clusters in liquid ethanol” [J. Chem. Phys. 144, 154302 (2016)]

scientific article published on 7 February 2019

Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique

scientific article published in September 2006

Far-Infrared Synchrotron Spectroscopy and Quantum Chemical Calculations of the Potentially Important Interstellar Molecule, 2-Chloroethanol

scientific article published on 16 January 2019

Far-infrared Spectroscopic Characterization of Anti-vinyl Alcohol

scientific article published on 21 September 2017

Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events

scientific article published on 17 August 2012

Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspective

Mechanical dissociation of the M-band titin/obscurin complex is directionally dependent

scientific article

Molecular dynamics simulations reveal a new role for a conserved active site asparagine in a ubiquitin-conjugating enzyme

scientific article published on 10 July 2017

Proton Transport Pathways in [NiFe]-Hydrogenase

scientific article published on 27 February 2012

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects

scientific article published on 26 September 2007

The Disulfide Bonds within BST-2 Enhance Tensile Strength during Viral Tethering

scientific article published on 20 January 2016

The Study of Dynamically Averaged Vibrational Spectroscopy of Atmospherically Relevant Clusters Using Ab Initio Molecular Dynamics in Conjunction with Quantum Wavepackets

scientific article published in 2008

List of works by Isaiah Sumner

A Conserved Asparagine in a Ubiquitin Conjugating Enzyme Positions the Substrate for Nucleophilic Attack

A Conserved Asparagine in a Ubiquitin Conjugating Enzyme Positions the Substrate for Nucleophilic Attack

A conserved asparagine in a ubiquitin-conjugating enzyme positions the substrate for nucleophilic attack

Analysis of Hydrogen Tunneling in an Enzyme Active Site Using von Neumann Measurements ⬇️

Combining quantum wavepacket ab initio molecular dynamics with QM/MM and QM/QM techniques: Implementation blending ONIOM and empirical valence bond theory

Comment on “Revisiting the formation of cyclic clusters in liquid ethanol” [J. Chem. Phys. 144, 154302 (2016)]

Computational Improvements to Quantum Wave Packet ab Initio Molecular Dynamics Using a Potential-Adapted, Time-Dependent Deterministic Sampling Technique

Far-Infrared Synchrotron Spectroscopy and Quantum Chemical Calculations of the Potentially Important Interstellar Molecule, 2-Chloroethanol

Far-infrared Spectroscopic Characterization of Anti-vinyl Alcohol

Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events

Hydrogen tunneling in an enzyme active site: a quantum wavepacket dynamical perspective

Mechanical dissociation of the M-band titin/obscurin complex is directionally dependent

Molecular dynamics simulations reveal a new role for a conserved active site asparagine in a ubiquitin-conjugating enzyme

Proton Transport Pathways in [NiFe]-Hydrogenase

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects

The Disulfide Bonds within BST-2 Enhance Tensile Strength during Viral Tethering

The Study of Dynamically Averaged Vibrational Spectroscopy of Atmospherically Relevant Clusters Using Ab Initio Molecular Dynamics in Conjunction with Quantum Wavepackets