Yingkai N. Zhang

2094 Xietu Road
Shanghai, 200032, China

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 91 publications

Unifying pKa and Protonation Prediction with Sequence-Based Deep Learning.

Unifying pKa and Protonation Prediction with Sequence-Based Deep Learning.

Journal: Journal of chemical information and modeling

Published: May 29, 2026

A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.

A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.

Journal: ACS chemical biology

Published: May 01, 2026

End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers.

End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers.

Journal: Chemical science

Published: March 23, 2026

Fine-Tuning DiffDock-L for Allosteric Kinase Docking.

Fine-Tuning DiffDock-L for Allosteric Kinase Docking.

Journal: Journal of chemical information and modeling

Published: March 04, 2026

Correction: Structure-based design of an aromatic helical foldamer-protein interface.

Correction: Structure-based design of an aromatic helical foldamer-protein interface.

Journal: Chemical science

Published: February 05, 2026

ProMol_Func: A Structure-Free Deep Learning Model for Virtual Screening.

ProMol_Func: A Structure-Free Deep Learning Model for Virtual Screening.

Journal: JACS Au

Published: February 02, 2026

OTMol: Robust Molecular Structure Comparison via Optimal Transport.

OTMol: Robust Molecular Structure Comparison via Optimal Transport.

Journal: Journal of chemical information and modeling

Published: October 08, 2025

Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction Prediction.

Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction Prediction.

Journal: Journal of chemical information and modeling

Published: September 16, 2025

OTMol: Robust Molecular Structure Comparison via Optimal Transport.

OTMol: Robust Molecular Structure Comparison via Optimal Transport.

Journal: ArXiv

Published: September 15, 2025

Modified vascularised posterior inter-trochanteric bone grafting technique for the treatment of femoral head necrosis: a technical note with 2-year follow-up based on cadaveric models.

Modified vascularised posterior inter-trochanteric bone grafting technique for the treatment of femoral head necrosis: a technical note with 2-year follow-up based on cadaveric models.

Journal: BMC surgery

Published: June 08, 2025

Enhancing Transthyretin Binding Affinity Prediction with a Consensus Model: Insights from the Tox24 Challenge.

Enhancing Transthyretin Binding Affinity Prediction with a Consensus Model: Insights from the Tox24 Challenge.

Journal: Chemical research in toxicology

Published: April 26, 2025

Unified Deep Learning of Molecular and Protein Language Representations with T5ProtChem.

Unified Deep Learning of Molecular and Protein Language Representations with T5ProtChem.

Journal: Journal of chemical information and modeling

Published: April 08, 2025

Showing 1-12 of 91

Last Updated: 09/26/2026