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Journal of Chemical Theory and Computation|August 14, 2020
Exploring the Conformational Landscape of Bioactive Small MoleculesSanja Zivanovic, Francesco Colizzi, David Moreno, et al.Journal of Chemical Theory and Computation|August 29, 2020
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for DrugsDavid Moreno, Sanja Zivanovic, Francesco Colizzi, et al.Journal of Chemical Theory and Computation|August 14, 2020
Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug DiscoverySanja Zivanovic, Genís Bayarri, Francesco Colizzi, et al.Angewandte Chemie (International Ed. in English)|January 26, 2019
Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular DynamicsFrancesco Colizzi, Adam Hospital, Sanja Zivanovic, et al.Biophysical Reviews|August 5, 2024
MD-DATA: the legacy of the ABC ConsortiumAdam Hospital, Modesto OrozcoScience Advances|September 13, 2021
Probing allosteric regulations with coevolution-driven molecular simulationsFrancesco Colizzi, Modesto OrozcoJournal of Chemical Information and Modeling|December 28, 2022
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 SimulationsAristarc Suriñach, Adam Hospital, Yvonne Westermaier, et al.Frontiers in Molecular Biosciences|September 6, 2021
3dRS, a Web-Based Tool to Share Interactive Representations of 3D Biomolecular Structures and Molecular Dynamics TrajectoriesGenís Bayarri, Adam Hospital, Modesto OrozcoBioorganic & Medicinal Chemistry|August 23, 2016
Challenges of docking in large, flexible and promiscuous binding sitesMartin Kotev, Robert Soliva, Modesto OrozcoBioinformatics (Oxford, England)|June 7, 2013
Exploration of conformational transition pathways from coarse-grained simulationsPedro Sfriso, Adam Hospital, Agustí Emperador, et al.Pageof 77