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Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach.

, , , , , , , , , and . J. Comput. Chem., 39 (32): 2679-2689 (2018)

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Extraction of a thermodynamic property for biochemical reactions in the metabolic pathway, , , , , and . Genome Inform., (2003)On the Behavior of Tile Assembly System at High Temperatures., and . CiE, volume 7318 of Lecture Notes in Computer Science, page 549-559. Springer, (2012)A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization., , , , , , , , and . BMC Bioinform., (2010)GLIDA: GPCR - ligand database for chemical genomics drug discovery - database and tools update., , , , , , , and . Nucleic Acids Res., 36 (Database-Issue): 907-912 (2008)Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples., , , , and . J. Chem. Inf. Model., 63 (15): 4552-4559 (August 2023)Differential Privacy under Incalculable Sensitivity., , , , , , , and . CSP, page 27-31. IEEE, (2022)Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach., , , , , , , , , and . J. Comput. Chem., 39 (32): 2679-2689 (2018)Out-of-distribution Reject Option Method for Dataset Shift Problem in Early Disease Onset Prediction., , , , , , , , , and 1 other author(s). CoRR, (2024)A probabilistic model for mining implicit 'chemical compound-gene' relations from literature., , , and . ECCB/JBI, page 251. (2005)CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration., , , , , , , and . J. Cheminformatics, 12 (1): 52 (2020)