Water determines the structure and dynamics of proteins MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, ... Chemical reviews 116 (13), 7673-7697, 2016 | 833 | 2016 |
Amyloid β protein and Alzheimer’s disease: When computer simulations complement experimental studies J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ... Chemical reviews 115 (9), 3518-3563, 2015 | 626 | 2015 |
Amyloid oligomers: A joint experimental/computational perspective on Alzheimer’s disease, Parkinson’s disease, type II diabetes, and amyotrophic lateral sclerosis PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ... Chemical reviews 121 (4), 2545-2647, 2021 | 511 | 2021 |
Reorientation and allied dynamics in water and aqueous solutions D Laage, G Stirnemann, F Sterpone, R Rey, JT Hynes Annual review of physical chemistry 62 (1), 395-416, 2011 | 398 | 2011 |
Water rotational relaxation and diffusion in hydrated lysozyme M Marchi, F Sterpone, M Ceccarelli Journal of the American Chemical Society 124 (23), 6787-6791, 2002 | 277 | 2002 |
How protein surfaces induce anomalous dynamics of hydration water F Pizzitutti, M Marchi, F Sterpone, PJ Rossky The Journal of Physical Chemistry B 111 (26), 7584-7590, 2007 | 270 | 2007 |
Molecular modeling and simulations of AOT− water reverse micelles in isooctane: structural and dynamic properties S Abel, F Sterpone, S Bandyopadhyay, M Marchi The Journal of Physical Chemistry B 108 (50), 19458-19466, 2004 | 266 | 2004 |
Magnitude and molecular origin of water slowdown next to a protein F Sterpone, G Stirnemann, D Laage Journal of the American Chemical Society 134 (9), 4116-4119, 2012 | 218 | 2012 |
Why is research on amyloid-β failing to give new drugs for Alzheimer’s disease? AJ Doig, MP del Castillo-Frias, O Berthoumieu, B Tarus, ... ACS chemical neuroscience 8 (7), 1435-1437, 2017 | 208 | 2017 |
The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems F Sterpone, S Melchionna, P Tuffery, S Pasquali, N Mousseau, ... Chemical Society Reviews 43 (13), 4871-4893, 2014 | 164 | 2014 |
Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groups F Sterpone, G Stirnemann, JT Hynes, D Laage The Journal of Physical Chemistry B 114 (5), 2083-2089, 2010 | 155 | 2010 |
Biomolecular hydration dynamics: a jump model perspective AC Fogarty, E Duboué-Dijon, F Sterpone, JT Hynes, D Laage Chemical Society Reviews 42 (13), 5672-5683, 2013 | 128 | 2013 |
Water jump reorientation: from theoretical prediction to experimental observation D Laage, G Stirnemann, F Sterpone, JT Hynes Accounts of chemical research 45 (1), 53-62, 2012 | 114 | 2012 |
Structures of the Alzheimer’s wild-type Aβ1-40 dimer from atomistic simulations B Tarus, TT Tran, J Nasica-Labouze, F Sterpone, PH Nguyen, ... The Journal of Physical Chemistry B 119 (33), 10478-10487, 2015 | 96 | 2015 |
Dynamics of water in concentrated solutions of amphiphiles: key roles of local structure and aggregation G Stirnemann, F Sterpone, D Laage The Journal of Physical Chemistry B 115 (12), 3254-3262, 2011 | 93 | 2011 |
Dynamics of hydration in hen egg white lysozyme F Sterpone, M Ceccarelli, M Marchi Journal of molecular biology 311 (2), 409-419, 2001 | 91 | 2001 |
Thermophilic proteins: insight and perspective from in silico experiments F Sterpone, S Melchionna Chemical Society Reviews 41 (5), 1665-1676, 2012 | 88 | 2012 |
Protein simulations in fluids: Coupling the OPEP coarse-grained force field with hydrodynamics F Sterpone, P Derreumaux, S Melchionna Journal of chemical theory and computation 11 (4), 1843-1853, 2015 | 81 | 2015 |
Stability effect of quinary interactions reversed by single point mutations D Gnutt, S Timr, J Ahlers, B König, E Manderfeld, M Heyden, F Sterpone, ... Journal of the American Chemical Society 141 (11), 4660-4669, 2019 | 62 | 2019 |
Dissecting the hydrogen bond: a quantum monte carlo approach F Sterpone, L Spanu, L Ferraro, S Sorella, L Guidoni Journal of Chemical Theory and Computation 4 (9), 1428-1434, 2008 | 61 | 2008 |