Sfoglia per Rivista JOURNAL OF CHEMICAL INFORMATION AND MODELING
All-Atom Simulations Uncover the Molecular Terms of the NKCC1 Transport Mechanism
2021-01-01 Janos, P.; Magistrato, A.
Atomistic Picture of Opening–Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations
2023-01-01 Zhang, Zhengyue; Šponer, Jiří; Bussi, Giovanni; Mlýnský, Vojtěch; Šulc, Petr; Simmons, Chad R.; Stephanopoulos, Nicholas; Krepl, Miroslav
Computational Approaches Elucidate the Allosteric Mechanism of Human Aromatase Inhibition: A Novel Possible Route to Small-Molecule Regulation of CYP450s Activities?
2014-01-01 Sgrignani, J.; Bon, M.; Colombo, G.; Magistrato, Alessandra
Exploiting Cryo-EM Structural Information and All-Atom Simulations to Decrypt the Molecular Mechanism of Splicing Modulators
2020-01-01 Borisek, J.; Saltalamacchia, A.; Spinello, A.; Magistrato, A.
Exploration, Representation, and Rationalization of the Conformational Phase Space of N-Glycans
2022-01-01 Grothaus, Isabell Louise; Bussi, Giovanni; Colombi Ciacchi, Lucio
How Can Interleukin-1 Receptor Antagonist Modulate Distinct Cell Death Pathways?
2019-01-01 Spinello, A.; Vecile, E.; Abbate, A.; Dobrina, A.; Magistrato, A.
Influence of the membrane lipophilic environment on the structure and on the substrate access/egress routes of the human aromatase enzyme. A computational study
2012-01-01 Sgrignani, J; Magistrato, Alessandra
Molecular Mechanisms of the Blockage of Glioblastoma Motility
2021-01-01 Xu, J.; Simonelli, F.; Li, X.; Spinello, A.; Laporte, S.; Torre, V.; Magistrato, A.
Post-Translational Regulation of CYP450s Metabolism As Revealed by All-Atoms Simulations of the Aromatase Enzyme
2019-01-01 Ritacco, I.; Spinello, A.; Ippoliti, E.; Magistrato, A.
Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations
2019-01-01 Ochoa, R.; Laio, A.; Cossio, P.
Structural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic Simulations
2013-01-01 Franco, D.; Sgrignani, J.; Bussi, G.; Magistrato, A.
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