Obserwuj
Raffaello Potestio
Raffaello Potestio
Department of Physics, University of Trento
Zweryfikowany adres z unitn.it - Strona główna
Tytuł
Cytowane przez
Cytowane przez
Rok
Hamiltonian adaptive resolution simulation for molecular liquids
R Potestio, S Fritsch, P Espanol, R Delgado-Buscalioni, K Kremer, ...
Physical Review Letter 110 (10), 108301, 2013
1802013
Computer simulations of soft matter: linking the scales
R Potestio, C Peter, K Kremer
Entropy 16 (8), 4199-4245, 2014
1192014
Corresponding functional dynamics across the Hsp90 Chaperone family: insights from a multiscale analysis of MD simulations
G Morra, R Potestio, C Micheletti, G Colombo
PLoS computational biology 8 (3), e1002433, 2012
1182012
Coarse-grained description of protein internal dynamics: an optimal strategy for decomposing proteins in rigid subunits
R Potestio, F Pontiggia, C Micheletti
Biophysical journal 96 (12), 4993-5002, 2009
912009
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations
R Cortes-Huerto, K Kremer, R Potestio
The Journal of Chemical Physics 145 (14), 2016
882016
Knotted vs. unknotted proteins: evidence of knot-promoting loops
R Potestio, C Micheletti, H Orland
PLoS computational biology 6 (7), e1000864, 2010
862010
Monte Carlo adaptive resolution simulation of multicomponent molecular liquids
R Potestio, P Espanol, R Delgado-Buscalioni, R Everaers, K Kremer, ...
Physical Review Letters 111 (6), 060601, 2013
852013
Statistical mechanics of Hamiltonian adaptive resolution simulations
P Español, R Delgado-Buscalioni, R Everaers, R Potestio, D Donadio, ...
The Journal of Chemical Physics 142 (6), 2015
642015
Nuclear quantum effects in water: A multiscale study
S Fritsch, R Potestio, D Donadio, K Kremer
Journal of Chemical Theory and Computation 10 (2), 816-824, 2014
632014
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties
AC Fogarty, R Potestio, K Kremer
The Journal of chemical physics 142 (19), 2015
602015
An information-theory-based approach for optimal model reduction of biomolecules
M Giulini, R Menichetti, MS Shell, R Potestio
Journal of chemical theory and computation 16 (11), 6795-6813, 2020
592020
Toward Hamiltonian adaptive qm/mm: accurate solvent structures using many-body potentials
JM Boereboom, R Potestio, D Donadio, RE Bulo
Journal of chemical theory and computation 12 (8), 3441-3448, 2016
582016
PiSQRD: a web server for decomposing proteins into quasi-rigid dynamical domains
T Aleksiev, R Potestio, F Pontiggia, S Cozzini, C Micheletti
Bioinformatics 25 (20), 2743-2744, 2009
552009
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
K Kreis, AC Fogarty, K Kremer, R Potestio
The European Physical Journal Special Topics 224, 2289-2304, 2015
452015
Combined experimental and theoretical investigation of heating rate on growth of iron oxide nanoparticles
H Sharifi Dehsari, M Heidari, A Halda Ribeiro, W Tremel, G Jakob, ...
Chemistry of Materials 29 (22), 9648-9656, 2017
442017
Mechanical and Assembly Units of Viral Capsids Identified via Quasi-Rigid Domain Decomposition
G Polles, G Indelicato, R Potestio, P Cermelli, R Twarock, C Micheletti
PLoS Computational Biology 9 (11), 2013
442013
Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study
R Potestio, L Delle Site
The Journal of Chemical Physics 136 (5), 2012
412012
ALADYN: a web server for aligning proteins by matching their large-scale motion
R Potestio, T Aleksiev, F Pontiggia, S Cozzini, C Micheletti
Nucleic acids research 38 (suppl_2), W41-W45, 2010
392010
From system modeling to system analysis: The impact of resolution level and resolution distribution in the computer-aided investigation of biomolecules
M Giulini, M Rigoli, G Mattiotti, R Menichetti, T Tarenzi, R Fiorentini, ...
Frontiers in Molecular Biosciences 8, 676976, 2021
382021
A multi‐resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand‐binding site
AC Fogarty, R Potestio, K Kremer
Proteins: Structure, Function, and Bioinformatics 84 (12), 1902-1913, 2016
382016
Nie można teraz wykonać tej operacji. Spróbuj ponownie później.
Prace 1–20