Bussi, Giovanni
Bussi, Giovanni
A nucleobase-centered coarse-grained representation for structure prediction of RNA motifs
2018-01-01 Poblete Fuentes, Simon David; Bottaro, Sandro; Bussi, Giovanni
A Nucleobase-Centric Coarse-Grained Model for Structure Prediction of RNA Fragments
2015-01-01 Poblete, S; Bottaro, S; Bussi, Giovanni
A simple asynchronous replica-exchange implementation
2009-01-01 Bussi, G.
A symmetrized-basis approach to excitons in carbon nanotubes
2005-01-01 Bussi, G.; Chang, E.; Ruini, A.; Molinari, E.
Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes
2012-01-01 Ferretti, A.; Mallia, G.; Martin-Samos, L.; Bussi, G.; Ruini, A.; Montanari, B.; Harrison, N. M.
Ab initio study of transport parameters in polymer crystals
2004-01-01 Ferretti, A.; Ruini, A.; Bussi, G.; Molinari, E.; Caldas, M. J.
Ab-initio study of excitonic effects in conventional and organic semiconductors
2005-01-01 Hummer, K.; Ambrosch-Draxl, C.; Bussi, G.; Ruini, A.; Caldas, M. J.; Molinari, E.; Laskowski, R.; Christensen, N. E.
Accurate multiple time step in biased molecular simulations
2015-01-01 Ferrarotti, M. J.; Bottaro, Sandro; Perez Villa, Andrea; Bussi, Giovanni
Accurate sampling using Langevin dynamics
2007-01-01 Bussi, G.; Parrinello, M.
Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations
2023-01-01 Hsu, Wei-Tse; Piomponi, Valerio; Merz, Pascal T; Bussi, Giovanni; Shirts, Michael R.
Analyzing and Biasing Simulations with PLUMED
2019-01-01 Bussi, G.; Tribello, G. A.
Arginine multivalency stabilizes protein/RNA condensates
2021-01-01 Paloni, Matteo; Bussi, Giovanni; Barducci, Alessandro
Assessing the accuracy of direct-coupling analysis for RNA contact prediction
2020-01-01 Cuturello, Francesca; Tiana, Guido; Bussi, Giovanni
Asymmetric base-pair opening drives helicase unwinding dynamics
2019-01-01 Colizzi, F.; Perez-Gonzalez, C.; Fritzen, R.; Levy, Y.; White, M. F.; Carlos Penedo, J.; Bussi, G.
Atomistic Details of Chymotrypsin Conformational Changes upon Adsorption on Silica
2018-01-01 Hildebrand, Nils; Michaelis, Monika; Wurzler, Nina; Li, Zhuo; Hirst, Jonathan D.; Micsonai, András; Kardos, József; Gil-Ley, Alejandro; Bussi, Giovanni; Köppen, Susan; Delle Piane, Massimo; Colombi Ciacchi, Lucio
Atomistic Picture of Opening–Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations
2023-01-01 Zhang, Zhengyue; Šponer, Jiří; Bussi, Giovanni; Mlýnský, Vojtěch; Šulc, Petr; Simmons, Chad R.; Stephanopoulos, Nicholas; Krepl, Miroslav
ATP dependent NS3 helicase interaction with RNA: insights from molecular simulations
2015-01-01 Perez Villa, Andrea; Darvas, Maria; Bussi, Giovanni
Automated Force-Field Parametrization Guided by Multisystem Ensemble Averages
2018-01-01 Cesari, Andrea; Bottaro, Sandro; Bussi, Giovanni
Automatic Learning of Hydrogen-Bond Fixes in the AMBER RNA Force Field
2022-01-01 Froehlking, Thorben; Mlýnský, Vojtěch; Janeček, Michal; Kührová, Petra; Krepl, Miroslav; Banáš, Pavel; Šponer, Jiří; Bussi, Giovanni
Barnaba: software for analysis of nucleic acid structures and trajectories
2019-01-01 Bottaro, Sandro; Bussi, Giovanni; Pinamonti, Giovanni; Reißer, Sabine; Boomsma, Wouter; Lindorff-Larsen, Kresten