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Bioorganic & Medicinal Chemistry Letters|April 18, 2026
Further development of cinnamodial analogues as mosquito (Aedes aegypti) toxicants for vector controlKishore Kumar Palli, Tae Lee, Xiaolin Cheng, et al.Journal of Chemical Information and Modeling|June 29, 2026
GeoPep: A Geometry-Aware Masked Language Model for Protein-Peptide Binding Site PredictionDian Chen, Yunkai Chen, Tong Lin, et al.Pharmaceuticals (Basel, Switzerland)|July 27, 2024
Structure-Based Identification of Novel Histone Deacetylase 4 (HDAC4) InhibitorsRupesh Agarwal, Pawat Pattarawat, Michael R Duff, et al.Journal of the American Chemical Society|February 19, 2010
Mechanism and kinetics of peptide partitioning into membranes from all-atom simulations of thermostable peptidesMartin B Ulmschneider, Jacques P F Doux, J Antoinette Killian, et al.Journal of Chemical Information and Modeling|September 4, 2025
Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based NanostructuresZhangmin Wan, Yan Yu, Gio Ferson M Bautista, et al.Biophysical Journal|December 4, 2012
Coupled flexibility change in cytochrome P450cam substrate binding determined by neutron scattering, NMR, and molecular dynamics simulationYinglong Miao, Zheng Yi, Carey Cantrell, et al.ACS Omega|May 6, 2024
Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic SolventsMood Mohan, Omar N Demerdash, Blake A Simmons, et al.Biophysical Journal|May 17, 2005
Enzyme activity and flexibility at very low hydrationV Kurkal, R M Daniel, John L Finney, et al.Proceedings of the National Academy of Sciences of the United States of America|March 4, 2011
Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experimentsFrank Noé, Sören Doose, Isabella Daidone, et al.The Journal of Physical Chemistry. B|April 6, 2012
Radical coupling reactions in lignin synthesis: a density functional theory studyAmandeep K Sangha, Jerry M Parks, Robert F Standaert, et al.Pageof 48