Author of the publication

Challenges of docking in large, flexible and promiscuous binding sites

, , and . Bioorganic and Medicinal Chemistry, 24 (20): 4961 - 4969 (2016)
DOI: http://dx.doi.org/10.1016/j.bmc.2016.08.010

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Extensive benchmark of rDock as a peptide-protein docking tool., , and . J. Comput. Aided Mol. Des., 33 (7): 613-626 (2019)Computational Prediction of HIV-1 Resistance to Protease Inhibitors., , , , , , , and . J. Chem. Inf. Model., 56 (5): 915-923 (2016)Comparison of Active Centers of Proteins: The Kinesin Family as a Test Case., , , , , , , and . Spanish Bioinformatics Conference, page 205. Technical University of Catalonia, Barcelona, (2004)Suitability of density functional methods for calculation of electrostatic properties., , and . J. Comput. Chem., 18 (8): 980-991 (1997)High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 63 (1): 321-334 (2023)Challenges of docking in large, flexible and promiscuous binding sites, , and . Bioorganic and Medicinal Chemistry, 24 (20): 4961 - 4969 (2016)FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design., , , and . J. Chem. Inf. Model., 60 (3): 1728-1736 (2020)Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case., , , , and . J. Chem. Inf. Model., 58 (8): 1707-1715 (2018)