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Molecular dynamics simulations reveal the parallel stranded d(GGGA)3GGG DNA quadruplex folds via multiple paths from a coil-like ensemble
2024-01-01 Pokorná, Pavlína; Mlýnský, Vojtěch; Bussi, Giovanni; Šponer, Jiří; Stadlbauer, Petr
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments
2023-01-01 Calonaci, Nicola; Bernetti, Mattia; Jones, Alisha; Sattler, Michael; Bussi, Giovanni
Molecular mechanism of Huntinton’s disease : a computational perspective
2012-01-01 Rossetti, G; Magistrato, Alessandra
Molecular mechanism of neuritogenesis driven by prion protein
2018-10-26 Nguyen, Thi Anh Xuan
The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope
2016-01-01 Bisha, Ina; Magistrato, Alessandra
Molecular mechanisms of ionic permeation through CNGA1 channels
2011-01-01 Marchesi, A; Mazzolini, Monica; Torre, Vincent
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.
Molecular mechanisms regulating P2X3 receptors in trigeminal ganglia of wild type and migraine-model mice
2012-10-30 Gnanasekaran, Aswini
‘Molecular Modeling of Enantioselective Hydrosilylation by Chiral Pd Based Homogeneous Catalysts with First-Principles and Hybrid QM/MM Molecular Dynamics Simulations’
2002-01-01 Magistrato, Alessandra; Togni, A; Rothlisberger, U; Woo, Tk
Molecular Properties by Quantum Monte Carlo: An Investigation on the Role of the Wave Function Ansatz and the Basis Set in the Water Molecule
2013-01-01 Zen, A; Luo, Ye; Sorella, Sandro; Guidoni, Leonardo
Molecular recognition of ligands targeting DNA: a computational approach
2008-01-17 Vargiu, Attilio Vittorio
Molecular rolling friction: the cogwheel model
2008-01-01 Braun, Om; Tosatti, Erio
Molecular Simulation Studies on the Prion Protein Variants: Insights into the Intriguing Effects of Mutations
2013-10-18 Cong, Xiaojing
Molecular simulations break the ice
2002-01-01 Scandolo, S.; Tosatti, Erio
Molecular Simulations Matching Denaturation Experiments for N-6-Methyladenosine
2022-01-01 Piomponi, V; Froehlking, T; Bernetti, M; Bussi, G
Molecular Simulations of Metal-based Proteins: from Catalysis to Ion Transport
2009-11-30 Hong Enriquez, Rolando Pablo
Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy Prediction
2024-01-01 Piomponi, Valerio; Krepl, Miroslav; Sponer, Jiri; Bussi, Giovanni
Molecular simulations to investigate the impact of post-transcriptional modifications on RNA structural dynamics
2023-10-26 Piomponi, Valerio
Molecular, functional and modeling study of cystic fibrosis transmembrane conductance regulator (CFTR) modulation of chloride homeostasis in the rat lumbar spinal cord during postnatal development
2010-10-29 Ostroumov, Alexey
Molecule-Driven Substrate Reconstruction in the Two-Dimensional Self-Organization of Fe-Phthalocyanines on Au(110)
2012-01-01 Fortuna, S; Gargiani, P; Betti, M. G.; Mariani, C; Calzolari, A; Modesti, S; Fabris, Stefano
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