luca maragliano
luca maragliano
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String method in collective variables: Minimum free energy paths and isocommittor surfaces
L Maragliano, A Fischer, E Vanden-Eijnden, G Ciccotti
The Journal of chemical physics 125, 024106, 2006
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
L Maragliano, E Vanden-Eijnden
Chemical physics letters 426 (1-3), 168-175, 2006
On-the-fly string method for minimum free energy paths calculation
L Maragliano, E Vanden-Eijnden
Chemical Physics Letters 446 (1-3), 182-190, 2007
Single-sweep methods for free energy calculations
L Maragliano, E Vanden-Eijnden
The Journal of chemical physics 128, 184110, 2008
Mapping the network of pathways of CO diffusion in myoglobin
L Maragliano, G Cottone, G Ciccotti, E Vanden-Eijnden
Journal of the American Chemical Society 132 (3), 1010-1017, 2009
Calculation of free energy landscape in multi-dimensions with Hamiltonian-exchange umbrella sampling on petascale supercomputer
W Jiang, Y Luo, L Maragliano, B Roux
Journal of chemical theory and computation 8 (11), 4672-4680, 2012
Direct imaging of DNA fibers: the visage of double helix
F Gentile, M Moretti, T Limongi, A Falqui, G Bertoni, A Scarpellini, ...
Nano Letters 12 (12), 6453-6458, 2012
Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials
L Maragliano, E Vanden-Eijnden, B Roux
Journal of chemical theory and computation 5 (10), 2589-2594, 2009
Intermediate state trapping of a voltage sensor
JJ Lacroix, SA Pless, L Maragliano, FV Campos, JD Galpin, CA Ahern, ...
The Journal of general physiology 140 (6), 635-652, 2012
“DFG-Flip” in the Insulin Receptor Kinase Is Facilitated by a Helical Intermediate State of the Activation Loop
H Vashisth, L Maragliano, CF Abrams
Biophysical Journal 102 (8), 1979, 2012
A Novel Topology of Proline-rich Transmembrane Protein 2 (PRRT2) HINTS FOR AN INTRACELLULAR FUNCTION AT THE SYNAPSE
P Rossi, B Sterlini, E Castroflorio, A Marte, F Onofri, F Valtorta, ...
Journal of Biological Chemistry 291 (12), 6111-6123, 2016
Comparison between mean forces and swarms-of-trajectories string methods
L Maragliano, B Roux, E Vanden-Eijnden
Journal of chemical theory and computation 10 (2), 524-533, 2014
Regulation of neural gene transcription by optogenetic inhibition of the RE1-silencing transcription factor
F Paonessa, S Criscuolo, S Sacchetti, D Amoroso, H Scarongella, ...
Proceedings of the National Academy of Sciences 113 (1), E91-E100, 2016
De novo mutations of the ATP6V1A gene cause developmental encephalopathy with epilepsy
A Fassio, A Esposito, M Kato, H Saitsu, D Mei, C Marini, V Conti, ...
Brain 141 (6), 1703-1718, 2018
Identification and Expression of Acetylcholinesterase in Octopus vulgaris Arm Development and Regeneration: a Conserved Role for ACHE?
SM Fossati, S Candiani, MT Nödl, L Maragliano, M Pennuto, ...
Molecular neurobiology 52 (1), 45-56, 2015
Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics
ZMH Naveh, TE Malliavin, L Maragliano, G Cottone, G Ciccotti
PloS one 9 (2), e88555, 2014
A refined model of claudin-15 tight junction paracellular architecture by molecular dynamics simulations
G Alberini, F Benfenati, L Maragliano
PloS one 12 (9), e0184190, 2017
Extended phase-space methods for enhanced sampling in molecular simulations: a review
H Fujisaki, K Moritsugu, Y Matsunaga, T Morishita, L Maragliano
Frontiers in bioengineering and biotechnology 3, 2015
Optogenetic Modulation of Intracellular Signalling and Transcription: Focus on Neuronal Plasticity
C Eleftheriou, F Cesca, L Maragliano, F Benfenati, JF Maya-Vetencourt
Journal of experimental neuroscience 11, 2017
Atomic mean-square displacements in proteins by molecular dynamics: a case for analysis of variance
L Maragliano, G Cottone, L Cordone, G Ciccotti
Biophysical journal 86 (5), 2765-2772, 2004
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