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Journal of Medicinal Chemistry|January 29, 2026
PLMCA: A General Multimodal Protein-Ligand Cross-Attention Framework for Pocket Identification and Binding Affinity PredictionYi He, Minghao Liu, Haohao Wang, et al.Journal of Chemical Information and Modeling|April 11, 2025
Prediction of Umami Peptides Based on a Large Language Model of ProteinsYi He, Zhenglin Tian, Jingxian Zheng, et al.International Journal of Molecular Sciences|September 9, 2022
Clustering Analysis, Structure Fingerprint Analysis, and Quantum Chemical Calculations of Compounds from Essential Oils of Sunflower (Helianthus annuus L.) ReceptaclesYi He, Kaifeng Liu, Lu Han, et al.BMC Biology|July 2, 2025
Deep learning-based dipeptidyl peptidase IV inhibitor screening, experimental validation, and GaMD/LiGaMD analysisYi He, Yan Zhang, Minghao Liu, et al.Computers in Biology and Medicine|June 30, 2024
VmmScore: An umami peptide prediction and receptor matching program based on a deep learning approachMinghao Liu, Jiuliang Yang, Yi He, et al.International Journal of Molecular Sciences|March 28, 2024
Mlp4green: A Binary Classification Approach Specifically for Green OdorJiuliang Yang, Zhiming Qian, Yi He, et al.Molecules (Basel, Switzerland)|January 11, 2022
Molecular Dynamic Simulations of Bromodomain and Extra-Terminal Protein 4 Bonded to Potent InhibitorsSiao Chen, Yi He, Yajiao Geng, et al.Iscience|June 13, 2024
PredCoffee: A binary classification approach specifically for coffee odorYi He, Ruirui Huang, Ruoyu Zhang, et al.International Journal of Molecular Sciences|October 16, 2025
Gaussian Accelerated Molecular Dynamics Simulations Combined with NRIMD to Explore the Mechanism of Substrate Selectivity of Cid1 Polymerase for Different Nucleoside TriphosphatesHanwen Liu, Xue Zhou, Haohao Wang, et al.International Journal of Molecular Sciences|November 26, 2022
In Silico Discovery of Anticancer Peptides from SanghuangMinghao Liu, Jiachen Lv, Liyuan Chen, et al.Pageof 501