Increasing the Accuracy of Optipharm’s Virtual Screening Predictions by Implementing Molecular Flexibility

von Puertas-Martín, Savíns
Veröffentlicht in IWBBIO (9. : 2022 : Gran Canaria) Bioinformatics and biomedical engineering ; Part 2 (2022)

Virtual Screening Based on Electrostatic Similarity and Flexible Ligands

von Puertas-Martín, Savíns
Veröffentlicht in International Conference on Computational Science and its Applications (22. : 2022 : Málaga; Online) Computational science and its applications - ICCSA 2022 workshops ; Part 2 (2022)