I. Sumner

发表

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

S. Iyengar, I. Sumner, 2007, The journal of physical chemistry. A.

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

S. Iyengar, J. Jakowski, I. Sumner, 2008, The journal of physical chemistry. B.

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

S. Iyengar, I. Sumner, 2008, The Journal of chemical physics.

Far-infrared Spectroscopic Characterization of Anti-vinyl Alcohol

I. Sumner, P. Raston, Hayley Bunn, 2017 .

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

I. Sumner, R. Wilson, S. Zamfir, 2017, Journal of molecular graphics & modelling.

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

Christopher E. Berndsen, I. Sumner, O. Kokhan, 2016, Biochemistry.

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

I. Sumner, P. Raston, Rebekah M. Soliday, 2019, The Journal of chemical physics.

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

I. Sumner, R. Wilson, Walker M. Jones, 2018, J. Comput. Chem..

Electron trajectories in molecular orbitals

I. Sumner, Hannah Anthony, H. Anthony, 2020, International Journal of Quantum Chemistry.

On the Possibility That Bond Strain Is the Mechanism of RING E3 Activation in the E2-Catalyzed Ubiquitination Reaction

I. Sumner, Jay-Anne K. Johnson, 2022, J. Chem. Inf. Model..

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.

S. Iyengar, I. Sumner, P. Phatak, 2012, The journal of physical chemistry. B.

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

S. Iyengar, I. Sumner, Xiaohu. Li, 2008 .

Proton transport pathways in [NiFe]-hydrogenase.

G. Voth, I. Sumner, 2012, The journal of physical chemistry. B.

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

I. Sumner, P. Raston, Rebekah M. Soliday, 2019, The journal of physical chemistry. A.

Analysis of Hydrogen Tunneling in an Enzyme Active Site using von Neumann Measurements.

S. Iyengar, I. Sumner, 2010, Journal of chemical theory and computation.

Effects of controlled mutations on the N- and C-terminal extensions of chick lens βB1 crystallin

I. Sumner, M. Crabbe, D. Goode, 1998, Graefe's Archive for Clinical and Experimental Ophthalmology.

Intensity increases of actin layer-lines on activation of the Limulus muscle.

Y. Maéda, C. Boulin, I. Sumner, 1986, Biophysical Journal.

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

S. Iyengar, J. Jakowski, I. Sumner, 2006, Journal of chemical theory and computation.