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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.Journal of Chemical Theory and Computation|March 22, 2019
Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding InteractionsPetra Kührová, Vojtěch Mlýnský, Marie Zgarbová, et al.Bioorganic & Medicinal Chemistry Letters|November 14, 2007
Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compoundsLorna Piazzi, Andrea Cavalli, Francesco Colizzi, et al.Scientific Reports|February 18, 2018
Structural determinants of the SINE B2 element embedded in the long non-coding RNA activator of translation AS Uchl1Peter Podbevšek, Francesca Fasolo, Carlotta Bon, et al.Journal of the American Chemical Society|September 3, 2014
Bowl inversion of surface-adsorbed sumaneneRached Jaafar, Carlo A Pignedoli, Giovanni Bussi, et al.The Journal of Biological Chemistry|September 29, 2018
Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B12-based photoreceptorJesús Fernández-Zapata, Ricardo Pérez-Castaño, Juan Aranda, et al.Journal of Chemical Theory and Computation|May 6, 2017
Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic SimulationsBarira Islam, Petr Stadlbauer, Alejandro Gil-Ley, et al.Chemical Reviews|January 4, 2018
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive OverviewJiří Šponer, Giovanni Bussi, Miroslav Krepl, et al.Journal 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.ACS Biomaterials Science & Engineering|January 9, 2021
Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on SilicaNils Hildebrand, Monika Michaelis, Nina Wurzler, et al.Pageof 12