Sfoglia per Autore
Atomic mean-square displacements in proteins by molecular dynamics: A case for analysis of variance
2004-01-01 Maragliano, L; Cottone, G; Cordone, L; Ciccotti, G
Effective binding force calculation in dimeric proteins
2004-01-01 Maragliano, L.; Ferrario, M.; Ciccotti, G.
Experimental and simulative dissociation of dimeric Cu,Zn superoxide dismutase doubly mutated at the intersubunit surface
2005-01-01 Maragliano, L.; Falconi, M.; Sergi, A.; Cioni, P.; Castelli, S.; Lania, A.; Stroppolo, M. E.; Strambini, G.; Ferrario, M.; Desideri, A.
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
2006-01-01 Maragliano, L.; Vanden-Eijnden, E.
String method in collective variables: Minimum free energy paths and isocommittor surfaces
2006-01-01 Maragliano, L.; Fischer, A.; Vanden-Eijnden, E.; Ciccotti, G.
On-the-fly string method for minimum free energy paths calculation
2007-01-01 Maragliano, L.; Vanden-Eijnden, E.
Single-sweep methods for free energy calculations
2008-01-01 Maragliano, L.; Vanden-Eijnden, E.
Free energy and kinetics of conformational transitions from voronoi tessellated milestoning with restraining potentials
2009-01-01 Maragliano, L.; Vanden-Eijnden, E.; Roux, B.
Mapping the network of pathways of CO diffusion in myoglobin
2010-01-01 Maragliano, L.; Cottone, G.; Ciccotti, G.; Vanden-Eijnden, E.
Intermediate state trapping of a voltage sensor
2012-01-01 Lacroix, J. J.; Pless, S. A.; Maragliano, L.; Campos, F. V.; Galpin, J. D.; Ahern, C. A.; Roux, B.; Bezanilla, F.
Calculation of free energy landscape in multi-dimensions with hamiltonian-exchange umbrella sampling on petascale supercomputer
2012-01-01 Jiang, W.; Luo, Y.; Maragliano, L.; Roux, B.
"dFG-Flip" in the insulin receptor kinase is facilitated by a helical intermediate state of the activation loop
2012-01-01 Vashisth, H.; Maragliano, L.; Abrams, C. F.
Direct imaging of DNA fibers: The visage of double helix
2012-01-01 Gentile, F.; Moretti, M.; Limongi, T.; Falqui, A.; Bertoni, G.; Scarpellini, A.; Santoriello, S.; Maragliano, L.; Proietti Zaccaria, R.; Di Fabrizio, E.
Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain
2014-01-01 Selwa, E.; Huynh, T.; Ciccotti, G.; Maragliano, L.; Malliavin, T. E.
Comparison between mean forces and swarms-of-trajectories string methods
2014-01-01 Maragliano, L.; Roux, B.; Vanden-Eijnden, E.
Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics
2014-01-01 Naveh, Z. M. H.; Malliavin, T. E.; Maragliano, L.; Cottone, G.; Ciccotti, G.
Functional role of ATP binding to synapsin I in synaptic vesicle trafficking and release dynamics
2014-01-01 Orlando, M.; Lignani, G.; Maragliano, L.; Fassio, A.; Onofri, F.; Baldelli, P.; Giovedi, S.; Benfenati, F.
Extended phase-space methods for enhanced sampling in molecular simulations: A review
2015-01-01 Fujisaki, H.; Moritsugu, K.; Matsunaga, Y.; Morishita, T.; Maragliano, L.
Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information
2015-01-01 Cortes-Ciriano, I.; Bouvier, G.; Nilges, M.; Maragliano, L.; Malliavin, T. E.
Identification and Expression of Acetylcholinesterase in Octopus vulgaris Arm Development and Regeneration: a Conserved Role for ACHE?
2015-01-01 Fossati, S. M.; Candiani, S.; Nodl, M. -T.; Maragliano, L.; Pennuto, M.; Domingues, P.; Benfenati, F.; Pestarino, M.; Zullo, L.
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