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BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology.

, , , , , and . Nucleic Acids Res., 44 (Database-Issue): 1045-1053 (2016)

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Target-Free Compound Activity Prediction via Few-Shot Learning., , , and . CoRR, (2023)D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings., , , , , , , , , and 4 other author(s). J. Comput. Aided Mol. Des., 33 (1): 1-18 (2019)The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations., , , , , , , , , and 7 other author(s). J. Comput. Aided Mol. Des., 34 (5): 601-633 (2020)Ligand-Based Compound Activity Prediction via Few-Shot Learning., , , and . J. Chem. Inf. Model., 64 (14): 5492-5499 (2024)BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology., , , , , and . Nucleic Acids Res., 44 (Database-Issue): 1045-1053 (2016)Predicting binding free energies: frontiers and benchmarks, and . Annual review of biophysics, (2017)Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset., , , , , , , and . J. Comput. Aided Mol. Des., 31 (8): 777 (2017)Technical report: Improving the properties of molecules generated by LIMO., , , and . CoRR, (2024)Blind prediction of SAMPL4 cucurbit7uril binding affinities with the mining minima method., , , , and . J. Comput. Aided Mol. Des., 28 (4): 463-474 (2014)Solvation thermodynamic mapping of molecular surfaces in AmberTools: GIST., , , , , and . J. Comput. Chem., 37 (21): 2029-2037 (2016)