Potestio, Raffaello
Potestio, Raffaello
Fisica (29/10/12-)
A Deep Graph Network-Enhanced Sampling Approach to Efficiently Explore the Space of Reduced Representations of Proteins
2021-01-01 Errica, F; Giulini, M; Bacciu, D; Menichetti, R; Micheli, A; Potestio, R
A deep learning approach to the structural analysis of proteins
2019-01-01 Giulini, Marco; Potestio, Raffaello
A journey through mapping space: characterising the statistical and metric properties of reduced representations of macromolecules
2021-01-01 Menichetti, Roberto; Giulini, Marco; Potestio, Raffaello
A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site
2016-01-01 Fogarty, A. C.; Potestio, R.; Kremer, K.
A unified framework for force-based and energy-based adaptive resolution simulations
2014-01-01 Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.
Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations
2016-01-01 Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.
Adaptive Resolution Molecular Dynamics Technique
2018-01-01 Praprotnik, M.; Cortes-Huerto, R.; Potestio, R.; Delle Site, L.
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties
2015-01-01 Fogarty, A. C.; Potestio, R.; Kremer, K.
Adaptive resolution simulation of oligonucleotides
2016-01-01 Netz, P. A.; Potestio, R.; Kremer, K.
Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions
2016-01-01 Kreis, K.; Potestio, R.; Kremer, K.; Fogarty, A. C.
Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
2015-01-01 Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.
ALADYN: A web server for aligning proteins by matching their large-scale motion
2010-01-01 Potestio, R.; Aleksiev, T.; Pontiggia, F.; Cozzini, S.; Micheletti, C.
An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules
2020-01-01 Giulini, M.; Menichetti, R.; Shell, M. S.; Potestio, R.
Bridging the atomic and coarse-grained descriptions of collective motions in proteins
2011-01-01 Carnevale, V.; Micheletti, C.; Pontiggia, F.; Potestio, R.
Chirality modifies the interaction between knots
2016-01-01 Najafi, S.; Tubiana, L.; Podgornik, R.; Potestio, R.
Coarse-grained description of protein internal dynamics: An optimal strategy for decomposing proteins in rigid subunits
2009-01-01 Potestio, R.; Pontiggia, F.; Micheletti, C.
Combined Experimental and Theoretical Investigation of Heating Rate on Growth of Iron Oxide Nanoparticles
2017-01-01 Sharifi Dehsari, H.; Heidari, M.; Halda R., A.; Tremel, W.; Jakob, G.; Donadio, D.; Potestio, R.; Asadi, K.
Communication pathways bridge local and global conformations in an IgG4 antibody
2021-01-01 Tarenzi, Thomas; Rigoli, Marta; Potestio, Raffaello
Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations
2016-01-01 Cortes-Huerto, R.; Kremer, K.; Potestio, R.
Comparing equilibration schemes of high-molecular-weight polymer melts with topological indicators
2021-01-01 Tubiana, Luca; Kobayashi, Hideki; Potestio, Raffaello; Dunweg, Burkhard; Kremer, Kurt; Virnau, Peter; Daoulas, Kostas