Odin Zhang

Pharmaceutical Biotechnology (Czechia) — Czech Republic

Computer Science · Physical Sciences

15h-index726citations59works8.32yr avg
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Research Topics

Computational Drug Discovery Methods(25), Protein Structure and Dynamics(16), Machine Learning in Materials Science(13), Machine Learning in Bioinformatics(7), Chemical Synthesis and Analysis(6)

Publications59 total

MetalloDock: Decoding Metalloprotein–Ligand Interactions via Physics-Aware Deep Learning for Metalloprotein Drug Discovery
Journal of the American Chemical Society·2026· 1 cited
Unlocking the application potential of AlphaFold3-like approaches in virtual screening
Chemical Science·2025Open Access
A virtual platform for automated hybrid organic-enzymatic synthesis planning
Nature Communications·2025Open Access
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
Nature Computational Science·2025
Blending Data and Knowledge for Process Industrial Modeling Under Riemannian Preconditioned Bayesian Framework
IEEE Transactions on Knowledge and Data Engineering·2025
Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions
Acta Pharmacologica Sinica·2025Open Access
<i>De novo</i> Design of All-atom Biomolecular Interactions with RFdiffusion3
2025· 11 citedOpen Access
Graph Neural Networks in Modern AI-Aided Drug Discovery
Chemical Reviews·2025· 15 cited
Accelerating Biomolecular Modeling with AtomWorks and RF3
2025· 12 citedOpen Access
Fitness aligned structural modeling enables scalable virtual screening with AuroBind
arXiv (Cornell University)·2025Open Access
Protein–peptide docking with a rational and accurate diffusion generative model
Nature Machine Intelligence·2025· 4 cited
Graph Neural Networks in Modern AI-aided Drug Discovery
arXiv (Cornell University)·2025Open Access
Token-Mol 1.0: tokenized drug design with large language models
Nature Communications·2025· 9 citedOpen Access
HawkDock version 2: an updated web server to predict and analyze the structures of protein–protein complexes
Nucleic Acids Research·2025· 18 citedOpen Access
AutoLoop: a novel autoregressive deep learning method for protein loop prediction with high accuracy
arXiv (Cornell University)·2025Open Access
Structure-based design of anticancer drugs based on β-elemene: Research foundations and development potential
Journal of Pharmaceutical Analysis·2025Open Access
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
Nature Machine Intelligence·2025· 18 cited
Correction: DiffBP: generative diffusion of 3D molecules for target protein binding
Chemical Science·2025· 1 citedOpen Access
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation
Chemical Science·2024Open Access
Durian: A Comprehensive Benchmark for Structure-Based 3D Molecular Generation
Journal of Chemical Information and Modeling·2024· 6 cited
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Frequent Co-authors

Tingjun Hou(35), Yu Kang(25), Chang‐Yu Hsieh(25), Xujun Zhang(20), Peichen Pan(16), Jike Wang(15), Dejun Jiang(13), Chao Shen(10), Hongyan Du(10), Zhenxing Wu(10), Haitao Lin(10), Xiaorui Wang(9), Huifeng Zhao(9), Jintu Zhang(8), Yafeng Deng(8), Yufei Huang(8), Stan Z. Li(8), Guangyong Chen(6), Huifeng Zhao(6), Mingyang Wang(6)