Yingkai Zhang

46PUBLICATIONS
41CO-AUTHORS
Computational chemistryAtomic and molecular physicsDeep learningBiomolecular modelling and designInterior design
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Publications (46)

|Sep 24, 2026
Deep learning of tautomer stability from crystallographic proton positions.

|May 29, 2026
Unifying pKa and Protonation Prediction with Sequence-Based Deep Learning.

|May 28, 2026
End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers.

|May 01, 2026
A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning.

|Mar 27, 2026
ProMol_Func: A Structure-Free Deep Learning Model for Virtual Screening.

Zixuan Feng, Max Kim, Aweon Richards

|Mar 04, 2026
Fine-Tuning DiffDock-L for Allosteric Kinase Docking.

Eric Chen, Justin Green, Yingkai Zhang

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Frequent Collaborators

5 joint publications

Song Xia

5 joint publications

Xiaolin Pan

4 joint publications

Paramjit S Arora

4 joint publications

Chao Yang