@article{kadukova:hal-01591154, TITLE = {{Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization}}, AUTHOR = {Kadukova, Maria and Grudinin, Sergei}, URL = {https://inria.hal.science/hal-01591154}, JOURNAL = {{Journal of Computer-Aided Molecular Design}}, PUBLISHER = {{Springer Verlag}}, VOLUME = {31}, NUMBER = {10}, PAGES = {943--958}, YEAR = {2017}, MONTH = Oct, DOI = {10.1007/s10822-017-0068-8}, KEYWORDS = {Machine learning ; Molecular docking ; Protein-ligand interactions ; Scoring function ; Knowledge-based potential}, PDF = {https://inria.hal.science/hal-01591154/file/2017-Kadukova-Convex-PL%3A%20a%20novel%20knowledge-based%20potential%20for%20protein-ligand%20interactions%20deduced%20from%20structural%20databases%20using%20convex%20optimization.pdf}, HAL_ID = {hal-01591154}, HAL_VERSION = {v1}, }