Yujun Tao

Biochemistry, Genetics and Molecular BiologyMaterials ScienceComputer SciencePhysics and AstronomyEnergy

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 7 papers. Top paper: “Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials”.

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

Journal of Chemical Theory and Computation(2020)10.1021/acs.jctc.0c00237

N/A

0DataRank · unranked

74 citations

Zhixiong Lin, Bryce K. Allen, Charles Lin, Brian K. Radak, Yujun Tao +4 more

Validation of Free Energy Methods in AMBER

Journal of Chemical Information and Modeling(2020)10.1021/acs.jcim.0c00285

N/A

0DataRank · unranked

27 citations

Yujun Tao, Tai‐Sung Lee, Kenneth M. Merz, Darrin M. York, Hsu‐Chun Tsai

QDπ: A Quantum Deep Potential Interaction Model for Drug Discovery

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.2c01172

N/A

0DataRank · unranked

46 citations

Yujun Tao, Timothy J. Giese, Darrin M. York, Jinzhe Zeng

Modern semiempirical electronic structure methods and machine learning potentials for drug discovery: Conformers, tautomers, and protonation states

The Journal of Chemical Physics(2023)10.1063/5.0139281

N/A

0DataRank · unranked

24 citations

Yujun Tao, Timothy J. Giese, Darrin M. York, Jinzhe Zeng

Software Infrastructure for Next-Generation QM/MM−ΔMLP Force Fields

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.4c01466

N/A

0DataRank · unranked

29 citations

Jinzhe Zeng, Lauren Lerew, Erika McCarthy, Yujun Tao, Şölen Ekesan +2 more

Surface-Accelerated String Method for Locating Minimum Free Energy Paths

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.3c01401

N/A

0DataRank · unranked

11 citations

Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M. York, Timothy J. Giese

Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine–Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials

Molecules(2024)10.3390/molecules29112703

N/A

0DataRank · unranked

6 citations

Timothy J. Giese, Darrin M. York, Yujun Tao