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Molecular Crowding Increases Knots Abundance in Linear Polymers
2015-01-01 D'Adamo, Giuseppe; Micheletti, Cristian
Molecular crystal structure prediction with evolutionary algorithm
2015-10-30 Pham, Cong Huy
Molecular determinants underlying volume‐regulated anion channel subunit‐dependent oxidation sensitivity
2022-01-01 Bertelli, Sara; Zuccolini, Paolo; Gavazzo, Paola; Pusch, Michael
Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling
2022-01-01 Del Tatto, V.; Raiteri, P.; Bernetti, M.; Bussi, G.
Molecular dynamics simulation of intrinsically disordered proteins
2012-01-01 Battisti, Anna; Tenenbaum, A.
Molecular Dynamics Simulations Identify Time Scale of Conformational Changes Responsible for Conformational Selection in Molecular Recognition of HIV-1 Transactivation Responsive RNA
2014-01-01 Musiani, Francesco; Rossetti, G.; Capece, L.; Gerger, T. M.; Micheletti, Cristian; Varani, G.; Carloni, P.
Molecular Dynamics Simulations of Chemically Modified Ribonucleotides
2023-01-01 Piomponi, Valerio; Bernetti, Mattia; Bussi, Giovanni
Molecular Dynamics Simulations Reveal an Interplay between SHAPE Reagent Binding and RNA Flexibility
2018-01-01 Mlýnský, Vojtěch; Bussi, Giovanni
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
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