Lee-Ping Wang

Associate Professor

University of California, Davis

United States

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Lee-Ping Wang is an Associate Professor at the University of California, Davis, specializing in computational spectroscopy and quantum chemistry. His recent research encompasses areas such as the mechanistic exploration of catalytic processes, molecular dynamics, and the development of advanced computational models for understanding chemical interactions. He has contributed to advancements in the study of ternary complexes, collision-induced dissociation, and the dynamics of molecular systems.

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2022

Collaborators (10)

Chenchen Song

Assistant Professor

University of California, Davis

UNITED STATES

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Paul Nerenberg

Associate Professor

California State University Los Angeles

UNITED STATES

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David Mobley

Professor

University of California, Irvine

UNITED STATES

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Marie C. Heffern

University of California

UNITED STATES

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Michael Stevenson

Assistant Professor

University of California, San Francisco

UNITED STATES

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Daniel Cole

Lecturer in computational medicinal chemistry

Newcastle University

UNITED KINGDOM

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Kyle Crabtree

Associate Professor

University of California, Davis

UNITED STATES

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Michael Shirts

Professor

University of Colorado Boulder

UNITED STATES

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Michael K. Gilson

Professor

University of California, San Diego

UNITED STATES

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Mariko Morimoto

Assistant Professor

University of Notre Dame

UNITED STATES

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Lee-Ping Wang

Research Interests

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About

Articles (20)

Computational Spectroscopy Studies of Model Ternary Complexes of Copper(II), C-Peptide, and Serum Albumin Using Excited State-Targeted Geometry Optimization

HydE Catalytic Mechanism Is Powered by a Radical Relay with Redox-Active Fe(I)-Containing Intermediates

Reactant Discovery with an Ab Initio Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways

A Polarizable QM/MM Model That Combines the State-Averaged CASSCF and AMOEBA Force Field for Photoreactions in Proteins

Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields

Tuning Potential Functions to Host–Guest Binding Data

Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling

Predicting Collision-Induced-Dissociation Tandem Mass Spectra (CID-MS/MS) Using Ab Initio Molecular Dynamics

Two P, Ten P, White P, Red P: Mechanistic Exploration of the Oligomerization of Red Phosphorus from Diphosphorus with the Ab Initio Nanoreactor

Revealing elusive conformations of sucrose from hydrogen bond J-coupling in H<sub>2</sub>O: A combined NMR and quantum mechanics study.

Copper(II) Affects the Biochemical Behavior of Proinsulin C-peptide by Forming Ternary Complexes with Serum Albumin

The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates

Multireference configuration interaction study of the predissociation of C2 via its F1Π u state

Open Force Field Evaluator: An Automated, Efficient, and Scalable Framework for the Estimation of Physical Properties from Molecular Simulation

Correction to Development and Validation of AMBER-FB15-Compatible Force Field Parameters for Phosphorylated Amino Acids

Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties

Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides

O-Acetyl Migration within the Sialic Acid Side Chain: A Mechanistic Study Using the Ab Initio Nanoreactor

Erratum: “Geometry optimization made simple with explicit translation and rotation coordinates” [J. Chem. Phys. 144, 214108 (2016)]

Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages

Collaborators (10)

Chenchen Song

Paul Nerenberg

David Mobley

Marie C. Heffern

Michael Stevenson

Daniel Cole

Kyle Crabtree

Michael Shirts

Michael K. Gilson

Mariko Morimoto

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