| 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 | 181 | 2013 |
| Computer simulations of soft matter: linking the scales R Potestio, C Peter, K Kremer Entropy 16 (8), 4199-4245, 2014 | 119 | 2014 |
| 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 | 118 | 2012 |
| 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 | 91 | 2009 |
| 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 | 88 | 2016 |
| 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 | 86 | 2013 |
| Knotted vs. unknotted proteins: evidence of knot-promoting loops R Potestio, C Micheletti, H Orland PLoS computational biology 6 (7), e1000864, 2010 | 86 | 2010 |
| 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 | 64 | 2015 |
| 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 | 63 | 2014 |
| 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 | 60 | 2015 |
| 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 | 59 | 2020 |
| 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 | 58 | 2016 |
| 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 | 55 | 2009 |
| 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 | 45 | 2015 |
| 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 | 44 | 2017 |
| 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 | 44 | 2013 |
| 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 | 41 | 2012 |
| 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 | 39 | 2010 |
| 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 | 38 | 2021 |
| 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 | 38 | 2016 |
Kurt KremerProfessor, Max Planck Institute for Polymer ResearchVerified email at mpip-mainz.mpg.de
