@article{briand:hal-03201619, TITLE = {{Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1}}, AUTHOR = {Briand, Eliane and Thomsen, Ragnar and Linnet, Kristian and Rasmussen, Henrik Berg and Brunak, Soren and Taboureau, Olivier}, URL = {https://cnrs.hal.science/hal-03201619}, JOURNAL = {{Molecules}}, PUBLISHER = {{MDPI}}, VOLUME = {24}, NUMBER = {15}, YEAR = {2019}, DOI = {10.3390/molecules24152747}, KEYWORDS = {HUMAN LIVER CARBOXYLESTERASE ; IN-VITRO EVALUATION ; MAMMALIAN CARBOXYLESTERASES ; STRUCTURAL INSIGHTS ; BENZIL DIPHENYLETHANE-1 ; 2-DIONE ; DRUG-METABOLISM ; PROTEIN ; HYDROLYSIS ; ACTIVATION ; GENE}, PDF = {https://cnrs.hal.science/hal-03201619/file/molecules-24-02747.pdf}, HAL_ID = {hal-03201619}, HAL_VERSION = {v1}, }