Lee‐Ping Wang

Also affiliated with University of California, Davis

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyMaterials ScienceChemistry

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 30 papers. Top paper: “A combined NMR, MD and DFT conformational analysis of 9-O-acetyl sialic acid-containing GM3 ganglioside glycan and its 9-N-acetyl mimic”.

A combined NMR, MD and DFT conformational analysis of 9-O-acetyl sialic acid-containing GM3 ganglioside glycan and its 9-N-acetyl mimic

Glycobiology(2020)10.1093/glycob/cwaa040

N/A

0.656DataRank · unranked

21 citations

Marcos D. Battistel, Hannah L. Reeves, Lisa Oh, Hai Yu, Xi Chen +3 more

Evaluating the Accuracy of the QCEIMS Approach for Computational Prediction of Electron Ionization Mass Spectra of Purines and Pyrimidines

Metabolites(2022)10.3390/metabo12010068

N/A

0.595DataRank · unranked

11 citations

Tobias Kind, Dean J. Tantillo, Lee‐Ping Wang, Oliver Fiehn, Jesi Lee

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2022)10.26434/chemrxiv-2022-n2z1c

N/A

0.345DataRank · unranked

9 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

The Automated Optimisation of a Coarse-Grained Force Field Using Free Energy Data

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.08.13.250233

N/A

0DataRank · unranked

4 citations

Lee‐Ping Wang, Jonathan W. Essex, Javier Caceres‐Delpiano

Quantum Chemistry Calculations for Metabolomics

Chemical Reviews(2021)10.1021/acs.chemrev.0c00901

N/A

0DataRank · unranked

92 citations

Sean Colby, Susanta Das, Arthur S. Edison, Oliver Fiehn, Tobias Kind +9 more

Reversible O-Acetyl Migration within the Sialic Acid Side Chain and Its Influence on Protein Recognition

ACS Chemical Biology(2021)10.1021/acschembio.0c00998

N/A

0DataRank · unranked

39 citations

Aniruddha Sasmal, Wanqing Li, Lisa Oh, Saurabh Srivastava, Audra A. Hargett +10 more

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics(2021)10.1063/5.0059356

N/A

0DataRank · unranked

45 citations

Annabelle Lolinco, Zachary L. Glick, Jiyoung Lee, Asem Alenaizan, Taylor Barnes +43 more

The automated optimisation of a coarse-grained force field using free energy data

Physical Chemistry Chemical Physics(2021)10.1039/d0cp05041e

N/A

0DataRank · unranked

7 citations

Lee‐Ping Wang, Jonathan W. Essex, Javier Caceres‐Delpiano

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v3

N/A

0DataRank · unranked

18 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

(2021)10.33774/chemrxiv-2021-l070l-v4

N/A

0DataRank · unranked

6 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2021)10.26434/chemrxiv-2021-gsgr4-v2

N/A

0DataRank · unranked

3 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2021)10.26434/chemrxiv-2021-gsgr4

N/A

0DataRank · unranked

2 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v4

N/A

0DataRank · unranked

1 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2021)10.26434/chemrxiv-2021-l070l-v3

N/A

0DataRank · unranked

0 citations

Daniel Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Source of Rate Acceleration for Carbocation Cyclization in Biomimetic Supramolecular Cages

Journal of the American Chemical Society(2022)10.1021/jacs.2c04179

N/A

0DataRank · unranked

35 citations

Kay T. Xia, Yue Zhang, Nanhao Chen, Mariko Morimoto, Xiaokun Pei +9 more

SARS-CoV-2 and MERS-CoV Spike Protein Binding Studies Support Stable Mimic of Bound 9-O-Acetylated Sialic Acids

Molecules(2022)10.3390/molecules27165322

N/A

0DataRank · unranked

9 citations

Ajit Varki, Xi Chen, Lee‐Ping Wang, Lisa Oh

Accumulation and Pulse Electron Paramagnetic Resonance Spectroscopic Investigation of the 4-Oxidobenzyl Radical Generated in the RadicalS-Adenosyl-l-methionine Enzyme HydG

Biochemistry(2022)10.1021/acs.biochem.1c00619

N/A

0DataRank · unranked

10 citations

Nanhao Chen, David A. Marchiori, Lee‐Ping Wang, R. David Britt, Guodong Rao

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

Glycobiology(2022)10.1093/glycob/cwac073

N/A

0DataRank · unranked

4 citations

Lee‐Ping Wang, Hannah L. Reeves

Improving force field accuracy by training against condensed phase mixture properties

ChemRxiv(2022)10.26434/chemrxiv-2021-gsgr4-v3

N/A

0DataRank · unranked

7 citations

Owen Madin, David L. Mobley, Lee‐Ping Wang, John D. Chodera, Michael R. Shirts +1 more

SARS-CoV-2 and MERS-CoV spike protein binding studies support stable mimic of bound 9-O-acetylated sialic acids

ChemRxiv(2022)10.26434/chemrxiv-2022-tnc3f

N/A

0DataRank · unranked

2 citations

Ajit Varki, Xi Chen, Lee‐Ping Wang, Lisa Oh

Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00039

N/A

0DataRank · unranked

193 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Tuning Potential Functions to Host–Guest Binding Data

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c01050

N/A

0DataRank · unranked

9 citations

Simon Boothroyd, David R. Slochower, David Dotson, Matthew W. Thompson, Jeffrey Wagner +3 more

Development and Benchmarking of Open Force Field 2.0.0 — the Sage Small Molecule Force Field

ChemRxiv(2023)10.26434/chemrxiv-2022-n2z1c-v2

N/A

0DataRank · unranked

21 citations

Pavan Kumar Behara, Owen Madin, David F. Hahn, Hyesu Jang, Vytautas Gapsys +14 more

Tuning Potential Functions to Host–Guest Binding Data

ChemRxiv(2023)10.26434/chemrxiv-2023-dwlf1

N/A

0DataRank · unranked

1 citations

Simon Boothroyd, David R. Slochower, David Dotson, Matthew W. Thompson, Jeffrey Wagner +3 more

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

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00760

N/A

0DataRank · unranked

13 citations

Dean J. Tantillo, Lee‐Ping Wang, Oliver Fiehn, Jesi Lee

Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB

Proceedings of the National Academy of Sciences(2024)10.1073/pnas.2412327121

N/A

0DataRank · unranked

10 citations

Damini Sood, Spencer C. Guo, Nanhao Chen, Adam Antoszewski, Tegan Marianchuk +11 more

Driving torsion scans with wavefront propagation

The Journal of Chemical Physics(2020)10.1063/5.0009232

N/A

0DataRank · unranked

47 citations

Daniel G. A. Smith, Chaya Stern, Mudong Feng, Hyesu Jang, Lee‐Ping Wang +1 more

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

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00761

N/A

0DataRank · unranked

6 citations

Dean J. Tantillo, Lee‐Ping Wang, Oliver Fiehn, Jesi Lee

Development and Benchmarking of Open Force Field v1.0.0, the Parsley Small Molecule Force Field

ChemRxiv(2020)10.26434/chemrxiv.13082561.v2

N/A

0DataRank · unranked

31 citations

Daniel G. A. Smith, Simon Boothroyd, Hyesu Jang, Jeffrey Wagner, Caitlin C. Bannan +13 more

Capturing non-local through-bond effects in molecular mechanics force fields I: Fragmenting molecules for quantum chemical torsion scans [Article v1.1]

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.08.27.270934

N/A

0DataRank · unranked

15 citations

Christopher I. Bayly, Daniel G. A. Smith, Josh Fass, Lee‐Ping Wang, David L. Mobley +2 more