Lee‐Ping Wang

University of California, Davis — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

39h-index12.8kcitations176works2.82yr avg
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Research Topics

Protein Structure and Dynamics(50), Advanced Chemical Physics Studies(40), Spectroscopy and Quantum Chemical Studies(40), Machine Learning in Materials Science(35), Mass Spectrometry Techniques and Applications(18)

Publications176 total

High-Throughput Approach for Minimum Energy Pathway Search Using the Nudged Elastic Band Method with Efficient Data Handling and Parallel Computing
Journal of Chemical Theory and Computation·2025
Computational Spectroscopy Studies of Model Ternary Complexes of Copper(II), C-Peptide, and Serum Albumin Using Excited State-Targeted Geometry Optimization
Biochemistry·2025
HydE Catalytic Mechanism Is Powered by a Radical Relay with Redox-Active Fe(I)-Containing Intermediates
Journal of the American Chemical Society·2025· 1 citedOpen Access
Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB
Proceedings of the National Academy of Sciences·2024· 9 citedOpen Access
Groundwater-surface interaction amplified post-seismic streamflow fluctuation
Communications Earth & Environment·2024Open Access
Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor
Inorganic Chemistry·2024· 2 citedOpen Access
Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling
Journal of Chemical Information and Modeling·2024· 5 citedOpen Access
Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular Dynamics
Journal of Chemical Information and Modeling·2024· 9 citedOpen Access
Direct observation of liquid-liquid phase coexistence in deeply supercooled water using an accurate polarizable multipole model
2024Open Access
Reactant Discovery with an <i>Ab Initio</i> Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways
ACS Earth and Space Chemistry·2024· 1 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
The Journal of Physical Chemistry B·2024· 9 citedOpen Access
A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins
Journal of Chemical Theory and Computation·2024· 8 citedOpen Access
Revealing elusive conformations of sucrose from hydrogen bond <i>J</i> ‐coupling in H <sub>2</sub> O: A combined NMR and quantum mechanics study
Magnetic Resonance in Chemistry·2024· 2 citedOpen Access
Temperature-Dependent Fold-Switching Mechanism of the Circadian Clock Protein KaiB
2024· 1 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 1 citedOpen Access
Author response for "Revealing elusive conformations of sucrose from hydrogen bond &lt;i&gt;J&lt;/i&gt;‐coupling in H&lt;sub&gt;2&lt;/sub&gt;O: A combined NMR and quantum mechanics study"
2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 1 citedOpen Access
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
2024· 2 citedOpen Access
Tuning Potential Functions to Host–Guest Binding Data
Journal of Chemical Theory and Computation·2023· 9 citedOpen Access
Tuning Potential Functions to Host–Guest Binding Data
2023Open Access
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Frequent Co-authors

Vijay S. Pande(15), John D. Chodera(11), Todd J. Martı́nez(10), Troy Van Voorhis(8), Teresa Head‐Gordon(7), Peter Eastman(6), Robert T. McGibbon(6), Kyle A. Beauchamp(6), David L. Mobley(6), Michael K. Gilson(6), Jason Swails(5), Chaya Stern(5), Michael R. Shirts(5), Pengyu Ren(5), Hyesu Jang(5), Jay W. Ponder(4), Christopher I. Bayly(4), Simon Boothroyd(4), Jeffrey Wagner(4), Daniel G. A. Smith(4)