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Yingkai Zhang

new york university

54H-index
187Paper Count
1.2WCitation Count
Published Papers 106
Publication Date
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Unifying pKa and Protonation Prediction with Sequence-Based Deep Learning
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-29
err0
errOAAI
errCharlotte Infante; Jieyu Lu; Xiaolin Pan; Song Xia; Yingkai Zhang
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End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers
errchem. sci.
IF0
err2026-05-27
err0
errOAAI
errChao Han; Xiaolin Pan; Yingkai Zhang
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errSave
A Novel Covalent Inhibitor Fragment for the SARS-CoV-2 Main Protease Identified by Target-Specific Deep Learning
errACS Chemical Biology
IF3.8
err2026-05-01
err0
errOAAI
errWeijun Zhou; Angel D′Oliviera; Xuhang Dai; Jeffrey S. Mugridge; Yingkai Zhang
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Fine-Tuning DiffDock-L for Allosteric Kinase Docking
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-04
err0
errOAAI
errEric Chen; Justin Green; Yingkai Zhang
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errSave
ProMol_Func: A Structure-Free Deep Learning Model for Virtual Screening
errJACS Au
IF8.7
err2026-02-24
err0
errOAAI
errZixuan Feng; Max Kim; Aweon Richards; Tania J. Lupoli; Yingkai Zhang
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Correction: Structure-based design of an aromatic helical foldamer–protein interface
errchem. sci.
IF0
err2026-02-17
err0
errOAAI
errLingfei Wang; Céline Douat; Johannes Sigl; Post Sai Reddy; Lucile Fischer; Béatrice Langlois d'Estaintot; Zhiwei Liu; Vojislava Pophristic; Yuwei Yang; Yingkai Zhang; Ivan Huc
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Modified Guilu Erxian Glue regulates Treg immune function to suppress bone marrow failure in aplastic anemia mice
errChinese Medicine
IF5.7
err2025-11-22
err0
errOAAI
errWei Liu; Pingxin Zhang; Jingmin Niu; Yingkai Zhang; Song Sun; Jinghao Sang; Weihua Gao; Boyang Meng; Limin Chai
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errSave
Topological deep learning for enhancing peptide-protein complex prediction
errCommunications Chemistry
IF6.2
err2025-11-12
err0
errOAAI
errXuhang Dai; Rui Wang; Yingkai Zhang
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errSave
Nudging voluntary carbon-reducing behavior of urban residents: Evidence from comparative analysis based on scenario experiments in China
errResources, Conservation and Recycling
IF10.9
err2025-10-14
err0
PREAI
errTing Yue; Jing Zhou; Yingkai Zhang; Nikita Parfenov; Ruyin Long; Yu Wang; Lan Zhang
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errSave
OTMol: Robust Molecular Structure Comparison via Optimal Transport
errJournal of Chemical Information and Modeling
IF5.3
err2025-10-08
err0
PREAI
errXiaoqi Wei; Xuhang Dai; Yaqi Wu; Yanxiang Zhao; Yingkai Zhang; Zixuan Cang
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errSave
Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction Prediction
errJournal of Chemical Information and Modeling
IF5.3
err2025-09-16
err0
errOAAI
errYaowen Gu; Song Xia; Qi Ouyang; Yingkai Zhang
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Unaligned RGB Guided Hyperspectral Image Super-Resolution with Spatial-Spectral Concordance
errInternational Journal of Computer Vision
IF9.3
err2025-06-17
err0
PREAI
errYingkai Zhang; Zeqiang Lai; Tao Zhang; Ying Fu; Chenghu Zhou
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errSave
Dissecting immune-mediated pathways in rheumatoid arthritis: A multivariate mediation analysis of antibodies and circulating proteins
errSCIENTIFIC REPORTS
IF3.9
err2025-05-14
err0
errOAAI
errNiu, Jingmin; Zhang, Pingxin; Liu, Wei; Sun, Song; Zhang, Yingkai; Sang, Jinghao; Yang, Jialin; Zhang, Qin; Chai, Limin
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errSave
New Qiangguyin activates Wnt/(3-catenin pathway by down-regulating Notum to improve osteoporosis in rats
errJOURNAL OF ETHNOPHARMACOLOGY
IF5.4
err2025-05-01
err0
PREAI
errZhang, Xu; Meng, Shilong; Xu, Yawei; He, Xiaoming; Cao, Yanguang; Tang, Binbin; Zhang, Yingkai; Shi, Xiaolin; Liu, Kang
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Enhancing Transthyretin Binding Affinity Prediction with a Consensus Model: Insights from the Tox24 Challenge
errCHEMICAL RESEARCH IN TOXICOLOGY
IF3.8
err2025-04-26
err0
PREAI
errPan, Xiaolin; Gu, Yaowen; Zhou, Weijun; Zhang, Yingkai
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errSave
Unified Deep Learning of Molecular and Protein Language Representations with T5ProtChem
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-04-08
err0
PREAI
errKelly, Thomas; Xia, Song; Lu, Jieyu; Zhang, Yingkai
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TraceAwareness and dual-strategy fuzz testing: Enhancing path coverage and crash localization with stochastic science and large language models
errCOMPUTERS & ELECTRICAL ENGINEERING
IF4.9
err2025-04-01
err0
PREAI
errChen, Xiaoquan; Liu, Jian; Zhang, Yingkai; Hu, Qinsong; Han, Yupeng; Zhang, Ruqi; Ran, Jingqi; Yan, Lei; Huang, Baiqi; Ma, Shengtin
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errSave
Fast and Accurate Prediction of Tautomer Ratios in Aqueous Solution via a Siamese Neural Network
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
errOAAI
errPan, Xiaolin; Zhang, Xudong; Xia, Song; Zhang, Yingkai
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errSave
Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-17
err0
errOAAI
errXia, Song; Gu, Yaowen; Zhang, Yingkai
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errSave
Recognition and cleavage of human tRNA methyltransferase TRMT1 by the SARS-CoV-2 main protease
errELIFE
IF0
err2025-01-07
err0
errOAAI
errD'Oliviera, Angel; Dai, Xuhang; Mottaghinia, Saba; Olson, Sophie; Geissler, Evan P.; Etienne, Lucie; Zhang, Yingkai; Mugridge, Jeffrey S.
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Research Directions

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Co-authors
Cooperation Journals
X
Xuemin Shen
H-index: 149 · Papers: 2.5K
J
J. Andrew McCammon
H-index: 134 · Papers: 1.1K
H
Hediye Erdjument‐Bromage
H-index: 134 · Papers: 367
B
Benjamin G. Neel
H-index: 120 · Papers: 605
T
Tung‐Tien Sun
H-index: 99 · Papers: 445
View more