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Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis, , and . Journal of Chemical Information and Modeling, 49 (10): 2356-2368 (2009)PMID: 19761201.Predicting GPCR Promiscuity Using Binding Site Features., , , , and . J. Chem. Inf. Model., 54 (1): 184-194 (2014)Molecular Dynamics Range-Limited Force Evaluation Optimized for FPGAs., , , , , , , and . ASAP, page 263-271. IEEE, (2019)Upgrade of FPGA Range-Limited Molecular Dynamics to Handle Hundreds of Processors., , , , , , and . FCCM, page 142-151. IEEE, (2021)System-Level Modeling of GPU/FPGA Clusters for Molecular Dynamics Simulations., , , , , and . HPEC, page 1-8. IEEE, (2021)ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery., , , , , , , , , and 3 other author(s). J. Chem. Inf. Model., 64 (15): 5900-5911 (2024)Optimized Mappings for Symmetric Range-Limited Molecular Force Calculations on FPGAs., , , , , , , and . FPL, page 101-108. IEEE, (2022)Selecting an Optimal Number of Binding Site Waters To Improve Virtual Screening Enrichments Against the Adenosine A2A Receptor., , , , and . J. Chem. Inf. Model., 54 (6): 1737-1746 (2014)Fully integrated FPGA molecular dynamics simulations., , , , , , , , , and 2 other author(s). SC, page 67:1-67:31. ACM, (2019)Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects, , , , and . Journal of Medicinal Chemistry, 49 (2): 534-553 (2006)PMID: 16420040.