Lee-Ping Wang
University of California, Davis
H-index: 36
North America-United States
Top articles of Lee-Ping Wang
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields | Pavan Kumar Behara Hyesu Jang Joshua Horton Trevor Gokey David Dotson | 2024/2/23 | |
Development and benchmarking of open force field 2.0. 0: the Sage small molecule force field | Journal of chemical theory and computation | Simon Boothroyd Pavan Kumar Behara Owen C Madin David F Hahn Hyesu Jang | 2023/5/11 |
The impact of conformational sampling on first-principles calculations of vicinal COCH J-couplings in carbohydrates | Glycobiology | Hannah L Reeves Lee-Ping Wang | 2023/1 |
Tuning Potential Functions to Host–Guest Binding Data | Journal of Chemical Theory and Computation | Jeffry Setiadi Simon Boothroyd David R Slochower David L Dotson Matthew W Thompson | 2023/12/26 |
Accumulation and pulse electron paramagnetic resonance spectroscopic investigation of the 4-oxidobenzyl radical generated in the radical S-Adenosyl-L-methionine enzyme HydG | Biochemistry | Guodong Rao Nanhao Chen David A Marchiori Lee-Ping Wang R David Britt | 2022/1/6 |
SARS-CoV-2 and MERS-CoV Spike Protein Binding Studies Support Stable Mimic of Bound 9-O-Acetylated Sialic Acids | Molecules | Lisa Oh Ajit Varki Xi Chen Lee-Ping Wang | 2022/8/20 |
Exploration and validation of force field design protocols through QM-to-MM mapping | Physical Chemistry Chemical Physics | Chris Ringrose Joshua T Horton Lee-Ping Wang Daniel J Cole | 2022 |
Erratum:“Geometry optimization made simple with explicit translation and rotation coordinates”[J. Chem. Phys. 144, 214108 (2016)] | The Journal of Chemical Physics | Lee-Ping Wang Chenchen Song | 2022/7/7 |
Source of rate acceleration for carbocation cyclization in biomimetic supramolecular cages | Journal of the American Chemical Society | Quynh Nhu N Nguyen Kay T Xia Yue Zhang Nanhao Chen Mariko Morimoto | 2022/6/14 |
Benchmarking Density Functionals, Basis Sets, and Solvent Models in Predicting Thermodynamic Hydricities of Organic Hydrides | The Journal of Physical Chemistry A | Christina Yeo Minh Nguyen Lee-Ping Wang | 2022/10/17 |
Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties | Journal of chemical theory and computation | Simon Boothroyd Owen C Madin David L Mobley Lee-Ping Wang John D Chodera | 2022/5/9 |
Correction to Development and Validation of AMBER-FB15-Compatible Force Field Parameters for Phosphorylated Amino Acids | The Journal of Physical Chemistry B | John P Stoppelman Tracey T Ng Paul S Nerenberg Lee-Ping Wang | 2022/10/12 |
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 | Simon Boothroyd Lee-Ping Wang David L Mobley John D Chodera Michael R Shirts | 2022/5/4 |
O-Acetyl Migration within the Sialic Acid Side Chain: A Mechanistic Study Using the Ab Initio Nanoreactor | Biochemistry | Lisa Oh Yang Ji Wanqing Li Ajit Varki Xi Chen | 2022/9/2 |
Fold-switching proteins. | Biopolymers | Andy LiWang Lauren L Porter Lee-Ping Wang | 2021/10/1 |
Reversible O-Acetyl Migration within the Sialic Acid Side Chain and Its Influence on Protein Recognition | ACS chemical biology | Yang Ji Aniruddha Sasmal Wanqing Li Lisa Oh Saurabh Srivastava | 2021/3/26 |
Identification and characterization of metamorphic proteins: Current and future perspectives | Madhurima Das Nanhao Chen Andy LiWang Lee‐Ping Wang | 2021/10 | |
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics | Stefan Seritan Christoph Bannwarth Bryan S Fales Edward G Hohenstein Christine M Isborn | 2021/3 | |
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 … | Biochemistry | Nanhao Chen Guodong Rao R David Britt Lee-Ping Wang | 2021/9/27 |
The automated optimisation of a coarse-grained force field using free energy data | Physical Chemistry Chemical Physics | Javier Caceres-Delpiano Lee-Ping Wang Jonathan W Essex | 2021 |
Co-Authors
