Lee-Ping Wang (Shunyang Wang)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 46

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Biochemistry

The Journal of chemical physics

University of California Davis

Massachusetts Institute of Technology (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of California Davis Jul 01 2015

United States

Assistant Professor :: Chemistry

Stanford University Sep 01 2011 - Jun 30 2015

United States

Simbios Distinguished Postdoctoral Fellow :: Chemistry

Education History

Massachusetts Institute of Technology Sep 01 2006 - Jun 15 2011

United States

PHD :: Chemistry

Publications

Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, Trevor Gokey, David L Dotson, Simon Boothroyd, Christopher I Bayly, Daniel J Cole, Lee-Ping Wang, David L Mobley
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields. The journal of physical chemistry. B (2024)
Chenchen Song, Lee-Ping Wang
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 20 (15) (2024)
Chenchen Song, Lee-Ping Wang
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)
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, Trevor Gokey, David L Dotson, Simon Boothroyd, Christopher I Bayly, Daniel J Cole, Lee-Ping Wang, David L Mobley
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields. The journal of physical chemistry. B 128 (32) (2024)
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, Trevor Gokey, David L Dotson, Simon Boothroyd, Christopher I Bayly, Daniel J Cole, Lee-Ping Wang, David L Mobley
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields. The journal of physical chemistry. B 128 (32) (2024)
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, Trevor Gokey, David L Dotson, Simon Boothroyd, Christopher I Bayly, Daniel J Cole, Lee-Ping Wang, David L Mobley
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields. The journal of physical chemistry. B 128 (32) (2024)
Jeffry Setiadi, Simon Boothroyd, David R Slochower, David L Dotson, Matthew W Thompson, Jeffrey R Wagner, Lee-Ping Wang, Michael K Gilson
Tuning Potential Functions to Host-Guest Binding Data. Journal of chemical theory and computation (2023)
Jeffry Setiadi, Simon Boothroyd, David R Slochower, David L Dotson, Matthew W Thompson, Jeffrey R Wagner, Lee-Ping Wang, Michael K Gilson
Tuning Potential Functions to Host-Guest Binding Data. Journal of chemical theory and computation 20 (1) (2023)
Simon Boothroyd, Pavan Kumar Behara, Owen C Madin, David F Hahn, Hyesu Jang, Vytautas Gapsys, Jeffrey R Wagner, Joshua T Horton, David L Dotson, Matthew W Thompson, Jessica Maat, Trevor Gokey, Lee-Ping Wang, Daniel J Cole, Michael K Gilson, John D Chodera, Christopher I Bayly, Michael R Shirts, David L Mobley
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field. Journal of chemical theory and computation (2023)
Jeffry Setiadi, Simon Boothroyd, David R Slochower, David L Dotson, Matthew W Thompson, Jeffrey R Wagner, Lee-Ping Wang, Michael K Gilson
Tuning Potential Functions to Host-Guest Binding Data. Journal of chemical theory and computation 20 (1) (2023)
Jeffry Setiadi, Simon Boothroyd, David R Slochower, David L Dotson, Matthew W Thompson, Jeffrey R Wagner, Lee-Ping Wang, Michael K Gilson
Tuning Potential Functions to Host-Guest Binding Data. Journal of chemical theory and computation 20 (1) (2023)
Jessica A San Juan, Khetpakorn Chakarawet, Zhecheng He, Rebeca L Fernandez, Michael J Stevenson, Nathaniel H O Harder, Samuel E Janisse, Lee-Ping Wang, R David Britt, Marie C Heffern
Copper(II) Affects the Biochemical Behavior of Proinsulin C-peptide by Forming Ternary Complexes with Serum Albumin. Journal of the American Chemical Society (2023)
Chris Ringrose, Joshua T Horton, Lee-Ping Wang, Daniel J Cole
Exploration and validation of force field design protocols through QM-to-MM mapping. Physical chemistry chemical physics : PCCP 24 (28) (2022)
Christina Yeo, Minh Nguyen, Lee-Ping Wang
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides. The journal of physical chemistry. A 126 (42) (2022)
Lee-Ping Wang, Chenchen Song
Erratum: "Geometry optimization made simple with explicit translation and rotation coordinates" [J. Chem. Phys. 144, 214108 (2016)]. The Journal of chemical physics 157 (1) (2022)
Guodong Rao, Nanhao Chen, David A Marchiori, Lee-Ping Wang, R David Britt
Accumulation and Pulse Electron Paramagnetic Resonance Spectroscopic Investigation of the 4-Oxidobenzyl Radical Generated in the Radical S -Adenosyl-l-methionine Enzyme HydG. Biochemistry 61 (2) (2022)
John P Stoppelman, Tracey T Ng, Paul S Nerenberg, Lee-Ping Wang
Correction to Development and Validation of AMBER-FB15-Compatible Force Field Parameters for Phosphorylated Amino Acids. The journal of physical chemistry. B 126 (42) (2022)
Simon Boothroyd, Lee-Ping Wang, David L Mobley, John D Chodera, Michael R Shirts
Open Force Field Evaluator: An Automated, Efficient, and Scalable Framework for the Estimation of Physical Properties from Molecular Simulation. Journal of chemical theory and computation 18 (6) (2022)
Lisa Oh, Yang Ji, Wanqing Li, Ajit Varki, Xi Chen, Lee-Ping Wang
O -Acetyl Migration within the Sialic Acid Side Chain: A Mechanistic Study Using the Ab Initio Nanoreactor. Biochemistry 61 (18) (2022)
Hannah L Reeves, Lee-Ping Wang
The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates. Glycobiology (2022)
Simon Boothroyd, Owen C Madin, David L Mobley, Lee-Ping Wang, John D Chodera, Michael R Shirts
Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties. Journal of chemical theory and computation 18 (6) (2022)
Quynh Nhu N Nguyen, Kay T Xia, Yue Zhang, Nanhao Chen, Mariko Morimoto, Xiaokun Pei, Yang Ha, Jinghua Guo, Wanli Yang, Lee-Ping Wang, Robert G Bergman, Kenneth N Raymond, F Dean Toste, Dean Joseph Tantillo
Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages. Journal of the American Chemical Society 144 (25) (2022)
Nanhao Chen, Guodong Rao, R David Britt, Lee-Ping Wang
Quantum Chemical Study of a Radical Relay Mechanism for the HydG-Catalyzed Synthesis of a Fe(II)(CO)2(CN)cysteine Precursor to the H-Cluster of [FeFe] Hydrogenase. Biochemistry 60 (40) (2021)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L Dotson, Sebastian Ehlert, Alexander G Heide, Michael F Herbst, Jan Hermann, Colton B Hicks, Joshua T Horton, Adrian G Hurtado, Peter Kraus, Holger Kruse, Sebastian J R Lee, Jonathon P Misiewicz, Levi N Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B Schriber, Andrew C Simmonett, Johannes Steinmetzer, Jeffrey R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı Šponer, Justin M Turney, Lee-Ping Wang, Nuwan De Silva, Rollin A King, John F Stanton, Mark S Gordon, Theresa L Windus, C David Sherrill, Lori A Burns
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Madhurima Das, Nanhao Chen, Andy LiWang, Lee-Ping Wang
Identification and characterization of metamorphic proteins: Current and future perspectives. Biopolymers 112 (10) (2021)
R David Britt, Lizhi Tao, Guodong Rao, Nanhao Chen, Lee-Ping Wang
Proposed Mechanism for the Biosynthesis of the [FeFe] Hydrogenase H-Cluster: Central Roles for the Radical SAM Enzymes HydG and HydE. ACS bio & med chem Au 2 (1) (2021)
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, Hyesu Jang, David F Hahn, Jeffrey Wagner, Caitlin C Bannan, Trevor Gokey, Victoria T Lim, Chaya D Stern, Andrea Rizzi, Bryon Tjanaka, Gary John Tresadern, Xavier Lucas, Michael R Shirts, Michael K Gilson, John D Chodera, Christopher I Bayly, David L Mobley, Lee-Ping Wang
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field. Journal of chemical theory and computation 17 (10) (2021)
John P Stoppelman, Tracey T Ng, Paul S Nerenberg, Lee-Ping Wang
Development and Validation of AMBER-FB15-Compatible Force Field Parameters for Phosphorylated Amino Acids. The journal of physical chemistry. B 125 (43) (2021)
Javier Caceres-Delpiano, Lee-Ping Wang, Jonathan W Essex
The automated optimisation of a coarse-grained force field using free energy data. Physical chemistry chemical physics : PCCP 23 (43) (2021)
Ricardo Moreira Borges, Sean M Colby, Susanta Das, Arthur S Edison, Oliver Fiehn, Tobias Kind, Jesi Lee, Amy T Merrill, Kenneth M Merz, Thomas O Metz, Jamie R Nunez, Dean Joseph Tantillo, Lee-Ping Wang, Lee-Ping Wang, Ryan R Renslow
Quantum Chemistry Calculations for Metabolomics. Chemical reviews 121 (10) (2021)
Yang Ji, Aniruddha Sasmal, Wanqing Li, Lisa Oh, Saurabh Srivastava, Audra A Hargett, Brian R Wasik, Hai Yu, Sandra Diaz, Biswa Choudhury, Colin R Parrish, Darόn I Freedberg, Lee-Ping Wang, Ajit Varki, Xi Chen
Reversible O-Acetyl Migration within the Sialic Acid Side Chain and Its Influence on Protein Recognition. ACS chemical biology 16 (10) (2021)
Yudong Qiu, Daniel G A Smith, Chaya D Stern, Mudong Feng, Hyesu Jang, Lee-Ping Wang
Driving torsion scans with wavefront propagation. The Journal of chemical physics 152 (24) (2020)
Sophie M Kantonen, Hari S Muddana, Michael Schauperl, Niel M Henriksen, Lee-Ping Wang, Michael K Gilson
Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters. Journal of chemical theory and computation 16 (2) (2020)
Marshall Hutchings, Johnson Liu, Yudong Qiu, Chenchen Song, Lee-Ping Wang
Bond-Order Time Series Analysis for Detecting Reaction Events in Ab Initio Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (3) (2020)
Shu-Hao Liou, Shih-Wei Chuo, Yudong Qiu, Lee-Ping Wang, David B Goodin
Linkage between Proximal and Distal Movements of P450cam Induced by Putidaredoxin. Biochemistry 59 (21) (2020)
Lee-Ping Wang, Chenchen Song
Car-Parrinello Monitor for More Robust Born-Oppenheimer Molecular Dynamics. Journal of chemical theory and computation 15 (8) (2019)
Shih-Wei Chuo, Lee-Ping Wang, R David Britt, David B Goodin
An Intermediate Conformational State of Cytochrome P450cam-CN in Complex with Putidaredoxin. Biochemistry 58 (18) (2019)
Shih-Wei Chuo, Shu-Hao Liou, Lee-Ping Wang, R David Britt, Thomas L Poulos, Irina F Sevrioukova, David B Goodin
Conformational Response of N-Terminally Truncated Cytochrome P450 3A4 to Ligand Binding in Solution. Biochemistry 58 (37) (2019)
David R Slochower, Niel M Henriksen, Lee-Ping Wang, John D Chodera, David L Mobley, Michael K Gilson
Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative. Journal of chemical theory and computation 15 (11) (2019)
Yudong Qiu, Paul S Nerenberg, Teresa Head-Gordon, Lee-Ping Wang
Systematic Optimization of Water Models Using Liquid/Vapor Surface Tension Data. The journal of physical chemistry. B 123 (32) (2019)
Alexander D Wade, Lee-Ping Wang, David J Huggins
Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties. Journal of chemical information and modeling 58 (9) (2018)
Yudong Qiu, Benedict R Schwegler, Lee-Ping Wang
Polarizable Molecular Simulations Reveal How Silicon-Containing Functional Groups Govern the Desalination Mechanism in Nanoporous Graphene. Journal of chemical theory and computation 14 (8) (2018)
Hyesu Jang, Yudong Qiu, Marshall E Hutchings, Minh Nguyen, Louise A Berben, Lee-Ping Wang
Quantum chemical studies of redox properties and conformational changes of a four-center iron CO2 reduction electrocatalyst. Chemical science 9 (10) (2018)
Lee-Ping Wang, Keri A McKiernan, Joseph Gomes, Kyle A Beauchamp, Teresa Head-Gordon, Julia E Rice, William C Swope, Todd J Martinez, Vijay S Pande
Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15. The journal of physical chemistry. B 121 (16) (2017)
Jing Huang, Ye Mei, Gerhard König, Andrew C Simmonett, Frank C Pickard, Qin Wu, Lee-Ping Wang, Alexander D MacKerell, Bernard R Brooks, Yihan Shao
An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. Journal of chemical theory and computation 13 (2) (2017)
Zahra Khedri, An Xiao, Hai Yu, Corinna Susanne Landig, Wanqing Li, Sandra Diaz, Brian R Wasik, Colin R Parrish, Lee-Ping Wang, Ajit Varki, Xi Chen
A Chemical Biology Solution to Problems with Studying Biologically Important but Unstable 9-O-Acetyl Sialic Acids. ACS chemical biology 12 (1) (2016)

Lee-Ping Wang.css-eqlu8i{font-size:small;padding-left:4px;} (Shunyang Wang)

Publication Activity (10 Years)

Top Topics

Top Venues

Lee-Ping Wang (Shunyang Wang)