Raffaello Potestio
Raffaello Potestio
Department of Physics, University of Trento
Verified email at unitn.it - Homepage
TitleCited byYear
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
1312013
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
742009
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), 2012
712012
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
682013
Knotted vs. unknotted proteins: evidence of knot-promoting loops
R Potestio, C Micheletti, H Orland
PLoS computational biology 6 (7), 2010
662010
Computer simulations of soft matter: Linking the scales
R Potestio, C Peter, K Kremer
Entropy 16 (8), 4199-4245, 2014
612014
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
472014
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), 05B610_1, 2015
452015
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
442009
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 (12), 2289-2304, 2015
362015
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), 054101, 2012
352012
Random matrix approach to collective behavior and bulk universality in protein dynamics
R Potestio, F Caccioli, P Vivo
Physical review letters 103 (26), 268101, 2009
322009
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
312010
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), 141103, 2016
292016
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
272013
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
242016
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
242016
A unified framework for force-based and energy-based adaptive resolution simulations
K Kreis, D Donadio, K Kremer, R Potestio
EPL (Europhysics Letters) 108 (3), 30007, 2014
232014
Adaptive resolution simulations with self-adjusting high-resolution regions
K Kreis, R Potestio, K Kremer, AC Fogarty
Journal of chemical theory and computation 12 (8), 4067-4081, 2016
212016
From classical to quantum and back: a Hamiltonian scheme for adaptive multiresolution classical/path-integral simulations
K Kreis, ME Tuckerman, D Donadio, K Kremer, R Potestio
Journal of chemical theory and computation 12 (7), 3030-3039, 2016
182016
The system can't perform the operation now. Try again later.
Articles 1–20