2026

  1. Does DrugCLIP Find the Right Pocket? A Systematic Evaluation of Binding-Site Identification Across 42 Drug Targets

    B. Xie; X. Guo; P. Xiao; C. Yang (corresponding author), AI Chemistry, 2026.

2025

  1. AlphaFold3 for Structure-Guided Ligand Discovery

    K. M. Menon; A. Davasam; G. Chen; C. Bryant; B. Lam; C. Yang; D. Barcelos; Y. Liu; F. Liu; A. Alon; J. Lyu, bioRxiv, 2025.

2024

  1. A Repurposed Drug Interferes with Nucleic Acid to Inhibit the Dual Activities of Coronavirus Nsp13

    N. Soper; I. Yardumian; E. Chen; C. Yang; S. Ciervo; A. L. Oom; J. M. Mark; Y. Zhang; T. J. Lupoli, ACS Chemical Biology, 2024.

  2. Current Computational Methods for Protein–Peptide Complex Structure Prediction

    C. Yang (corresponding author); X. Xu; C. Xiang, Current Medicinal Chemistry, 2024.

2022

  1. Protein-Ligand Docking in the Machine-Learning Era

    C. Yang; E. A. Chen; Y. Zhang, Molecules, 2022.

  2. Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions

    C. Yang; Y. Zhang, Journal of Chemical Information and Modeling, 2021.

2021

  1. Lin_F9: A Linear Empirical Scoring Function for Protein-Ligand Docking

    C. Yang; Y. Zhang, Journal of Chemical Information and Modeling, 2021.

  2. Dominant Role of CDKN2B/p15INK4B of 9p21.3 Tumor Suppressor Hub in Inhibition of Cell-Cycle and Glycolysis

    Y. Xia; Y. Liu; C. Yang (co-first author); D. M. Simeone; T.-T. Sun; D. J. DeGraff; M.-S. Tang; Y. Zhang; X.-R. Wu, Nature Communications, 2021.

  3. Selective and Noncovalent Targeting of RAS Mutants for Inhibition and Degradation

    K. W. Teng; S. T. Tsai; T. Hattori; C. Fedele; A. Koide; C. Yang; X. Hou; Y. Zhang; B. G. Neel; J. P. O’Bryan; S. Koide, Nature Communications, 2021.

  4. EGCG Binds Intrinsically Disordered N-Terminal Domain of p53 and Disrupts p53-MDM2 Interaction

    J. Zhao; A. Blayney; X. Liu; L. Gandy; W. Jin; L. Yan; J.-H. Ha; A. J. Canning; M. Connelly; C. Yang; X. Liu; Y. Xiao; M. S. Cosgrove; S. R. Solmaz; Y. Zhang; D. Ban; J. Chen; S. N. Loh; C. Wang, Nature Communications, 2021.

Selected Earlier Publications

  1. A Two-Step Binding Mechanism for Self-Binding Peptide Recognition of Target Domains

    C. Yang; S. Zhang; S. Hou; Z. Bai; J. Huang; P. Zhou, Molecular BioSystems, 2016.

  2. Self-Binding Peptides: Folding or Binding?

    C. Yang; S. Zhang; P. He; C. Wang; J. Huang; P. Zhou, Journal of Chemical Information and Modeling, 2015.

  3. What Are the Ideal Properties for Functional Food Peptides with Antihypertensive Effect? A Computational Peptidology Approach

    P. Zhou; C. Yang; Y. Ren; C. Wang; F. Tian, Food Chemistry, 2013

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