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Scientific Reports|April 2, 2016
Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed LigandsGerolamo Vettoretti, Elisabetta Moroni, Sara Sattin, et al.The Journal of Steroid Biochemistry and Molecular Biology|March 29, 2008
Biochemical and computational insights into the anti-aromatase activity of natural catechol estrogensMarco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.Proceedings of the National Academy of Sciences of the United States of America|August 21, 2025
The functional dynamics of FicD's TPR domain are modulated by the interaction with ATP and BiPSvenja Runge, Ecenaz Bilgen, Andrea Magni, et al.Frontiers in Computational Neuroscience|November 28, 2025
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complexSong Xie, Ke Zuo, Silvia De Rubeis, et al.Journal of Chemical Information and Modeling|March 12, 2026
Molecular Dynamics Simulations Provide Further Insights into the Allosteric Regulation of the Kinesin-5 Motor Domain by Loop 5Gabriel Rodríguez-Santos, Giorgio Bonollo, Cristiano Sciva, et al.Chemical Biology & Drug Design|October 8, 2010
Combined in silico and experimental approach for drug design: the binding mode of peptidic and non-peptidic inhibitors to hsp90 N-terminal domainSimona Tomaselli, Massimiliano Meli, Janet Plescia, et al.Journal of Medicinal Chemistry|December 17, 2008
Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitorsMarco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.Journal of Chemical Theory and Computation|September 11, 2025
MOLECULE: Molecular-dynamics and Optimized deep Learning for Entropy-regularized Classification and Uncertainty-aware Ligand EvaluationIvan Cucchi, Elena Frasnetti, Francesco Frigerio, et al.Chemmedchem|October 3, 2007
Combining computational and biochemical studies for a rationale on the anti-aromatase activity of natural polyphenolsMarco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.European Journal of Medicinal Chemistry|June 9, 2009
An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitorsMarco A C Neves, Teresa C P Dinis, Giorgio Colombo, et al.Pageof 28