🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Taoyu Niu

University of Pittsburgh

ORCID: 0009-0004-2214-1397

Also affiliated with Genomics (United Kingdom)

Computer ScienceMaterials ScienceBiochemistry, Genetics and Molecular Biology

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 6 papers. Top paper: “In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling”.

In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling

Molecules(2023)10.3390/molecules28248034
N/A
0DataRank · unranked
6 citations

Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu +3 more

Development and test of highly accurate endpoint free energy methods. 3: partition coefficient prediction using a Poisson–Boltzmann method combined with a solvent accessible surface area model for SAMPL challenges

Physical Chemistry Chemical Physics(2023)10.1039/d3cp04174c
N/A
0DataRank · unranked
4 citations

Xibing He, Fengyang Han, Luxuan Wang, Junmei Wang, Taoyu Niu

Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction

Biomolecules(2024)10.3390/biom14060648
N/A
0DataRank · unranked
5 citations

Xibing He, Beihong Ji, Fengyang Han, Taoyu Niu, Lianjin Cai +4 more

Machine learning and deep learning based scoring functions in deciphering ligand-receptor binding: An application in drug design for GPCRs

Annual reports in computational chemistry(2024)10.1016/bs.arcc.2024.10.001
N/A
0DataRank · unranked
2 citations

Nick X. Wang, Junmei Wang, Taoyu Niu

Intranasal diamorphine population pharmacokinetics modeling and simulation in pediatric breakthrough pain

CPT Pharmacometrics & Systems Pharmacology(2025)10.1002/psp4.13186
N/A
0DataRank · unranked
0 citations

Jingchen Zhai, Beihong Ji, Fengyang Han, Taoyu Niu, Luxuan Wang +2 more

Optimization of Lennard–Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field

The Journal of Physical Chemistry B(2025)10.1021/acs.jpcb.5c05129
N/A
0DataRank · unranked
0 citations

Junmei Wang, Zhen Huang, Ray Luo, Piotr Cieplak, Yong Duan +1 more