Fabio Sterpone - Publications

Affiliations: 
École Normale Supérieure, Paris, Paris, France 

46 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Maffucci I, Laage D, Stirnemann G, Sterpone F. Differences in thermal structural changes and melting between mesophilic and thermophilic dihydrofolate reductase enzymes. Physical Chemistry Chemical Physics : Pccp. 22: 18361-18373. PMID 32789320 DOI: 10.1039/d0cp02738c  0.76
2020 Stirnemann G, Sterpone F, Maffucci I, Laage D. Thermal adaptation of enzymes: impacts of conformational shifts on catalytic activation energy and optimum temperature. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32490588 DOI: 10.1002/chem.202001973  0.76
2020 Nguyen PH, Sterpone F, Derreumaux P. Aggregation of disease-related peptides. Progress in Molecular Biology and Translational Science. 170: 435-460. PMID 32145950 DOI: 10.1016/bs.pmbts.2019.12.002  0.4
2020 Katava M, Marchi M, Madern D, Sztucki M, Maccarini M, Sterpone F. Temperature Unmasks Allosteric Propensity in a Thermophilic Malate Dehydrogenase via Dewetting and Collapse. The Journal of Physical Chemistry. B. PMID 31961162 DOI: 10.1021/acs.jpcb.9b10776  0.36
2019 F Brandner A, Timr S, Melchionna S, Derreumaux P, Baaden M, Sterpone F. Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics. Scientific Reports. 9: 16450. PMID 31712588 DOI: 10.1038/s41598-019-52760-y  0.4
2019 Barroso da Silva FL, Sterpone F, Derreumaux P. OPEP6: A new constant-pH Molecular Dynamics simulation scheme with OPEP coarse-grained force field. Journal of Chemical Theory and Computation. PMID 31059255 DOI: 10.1021/acs.jctc.9b00202  0.4
2019 Chiricotto M, Melchionna S, Derreumaux P, Sterpone F. Multiscale Aggregation of the Amyloid Aβ Peptide: From Disordered Coagulation and Lateral Branching to Amorphous Prefibrils. The Journal of Physical Chemistry Letters. 1594-1599. PMID 30892042 DOI: 10.1021/acs.jpclett.9b00423  0.4
2019 Lu Y, Shi X, Nguyen PH, Sterpone F, Salsbury FR, Derreumaux P. Amyloid-β(29-42) Dimeric Conformations in Membranes Rich in Omega-3 and Omega-6 Polyunsaturated Fatty Acids. The Journal of Physical Chemistry. B. PMID 30813725 DOI: 10.1021/acs.jpcb.9b00431  0.4
2018 Languin-Cattoen O, Melchionna S, Derreumaux P, Stirnemann G, Sterpone F. Three Weaknesses for Three Perturbations: Comparing Protein Unfolding under Shear, Force and Thermal Stresses. The Journal of Physical Chemistry. B. PMID 30444631 DOI: 10.1021/acs.jpcb.8b08711  0.76
2018 Sutherland GA, Grayson KJ, Adams NBP, Mermans DMJ, Jones AS, Robertson AJ, Auman DB, Brindley AA, Sterpone F, Tuffery P, Derreumaux P, Dutton PL, Robinson C, Hitchcock A, Hunter CN. Probing the quality control mechanism of thetwin-arginine translocase with folding variants of a-designed heme protein. The Journal of Biological Chemistry. PMID 29559557 DOI: 10.1074/jbc.RA117.000880  0.4
2018 Sterpone F, Derreumaux P, Melchionna S. Molecular Mechanism of Protein Unfolding under Shear: A Lattice Boltzmann Molecular Dynamics Study. The Journal of Physical Chemistry. B. 122: 1573-1579. PMID 29328657 DOI: 10.1021/acs.jpcb.7b10796  0.4
2017 Stirnemann G, Sterpone F. Mechanics of Protein Adaptation to High Temperatures. The Journal of Physical Chemistry Letters. 8: 5884-5890. PMID 29155591 DOI: 10.1021/acs.jpclett.7b02611  0.76
2017 Sterpone F, Doutreligne S, Tran TT, Melchionna S, Baaden M, Nguyen PH, Derreumaux P. Multi-scale simulations of biological systems using the OPEP coarse-grained model. Biochemical and Biophysical Research Communications. PMID 28917842 DOI: 10.1016/j.bbrc.2017.08.165  0.4
2017 Katava M, Stirnemann G, Zanatta M, Capaccioli S, Pachetti M, Ngai KL, Sterpone F, Paciaroni A. Critical structural fluctuations of proteins upon thermal unfolding challenge the Lindemann criterion. Proceedings of the National Academy of Sciences of the United States of America. PMID 28808004 DOI: 10.1073/pnas.1707357114  0.76
2017 Rahaman O, Kalimeri M, Katava M, Paciaroni A, Sterpone F. Configurational Disorder of Water Hydrogen Bond Network at the Protein Dynamical Transition. The Journal of Physical Chemistry. B. PMID 28635287 DOI: 10.1021/acs.jpcb.7b03888  0.4
2017 Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PH, Hooper NM, Faller P, Derreumaux P. Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? Acs Chemical Neuroscience. PMID 28586203 DOI: 10.1021/acschemneuro.7b00188  0.4
2017 Katava M, Maccarini M, Villain G, Paciaroni A, Sztucki M, Ivanova O, Madern D, Sterpone F. Thermal activation of 'allosteric-like' large-scale motions in a eukaryotic Lactate Dehydrogenase. Scientific Reports. 7: 41092. PMID 28112231 DOI: 10.1038/srep41092  0.36
2016 Nguyen PH, Sterpone F, Pouplana R, Derreumaux P, Campanera JM. Dimerization Mechanism of Alzheimer Aβ40 Peptides: The High Content of Intrapeptide-Stabilized Conformations in A2V and A2T Heterozygous Dimers Retards Amyloid Fibril Formation. The Journal of Physical Chemistry. B. 120: 12111-12126. PMID 27933940 DOI: 10.1021/acs.jpcb.6b10722  0.4
2016 Chiricotto M, Sterpone F, Derreumaux P, Melchionna S. Multiscale simulation of molecular processes in cellular environments. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 374. PMID 27698046 DOI: 10.1098/rsta.2016.0225  0.4
2016 Chiricotto M, Melchionna S, Derreumaux P, Sterpone F. Hydrodynamic effects on β-amyloid (16-22) peptide aggregation. The Journal of Chemical Physics. 145: 035102. PMID 27448906 DOI: 10.1063/1.4958323  0.4
2016 Nguyen PH, Sterpone F, Campanera JM, Nasica-Labouze J, Derreumaux P. Impact of the A2V mutation on the Heterozygous and Homozygous Aβ1-40 Dimer Structures from Atomistic Simulations. Acs Chemical Neuroscience. PMID 27007027 DOI: 10.1021/acschemneuro.6b00053  0.76
2016 Katava M, Kalimeri M, Stirnemann G, Sterpone F. Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue. The Journal of Physical Chemistry. B. 120: 2721-30. PMID 26907829 DOI: 10.1021/acs.jpcb.6b00306  0.76
2015 Kalimeri M, Derreumaux P, Sterpone F. Are coarse-grained models apt to detect protein thermal stability? The case of OPEP force field. Journal of Non-Crystalline Solids. 407: 494-501. PMID 28100926 DOI: 10.1016/j.jnoncrysol.2014.07.005  0.4
2015 Stirnemann G, Sterpone F. Recovering Protein Thermal Stability Using All-Atom Hamiltonian Replica-Exchange Simulations in Explicit Solvent. Journal of Chemical Theory and Computation. 11: 5573-7. PMID 26642979 DOI: 10.1021/acs.jctc.5b00954  0.76
2015 Sterpone F, Derreumaux P, Melchionna S. Protein Simulations in Fluids: Coupling the OPEP Coarse-Grained Force Field with Hydrodynamics. Journal of Chemical Theory and Computation. 11: 1843-53. PMID 26574390 DOI: 10.1021/ct501015h  0.4
2015 Tarus B, Tran TT, Nasica-Labouze J, Sterpone F, Nguyen PH, Derreumaux P. Structures of the Alzheimer's Wild-Type Aβ1-40 Dimer from Atomistic Simulations. The Journal of Physical Chemistry. B. 119: 10478-87. PMID 26228450 DOI: 10.1021/acs.jpcb.5b05593  0.76
2015 Nasica-Labouze J, Nguyen PH, Sterpone F, Berthoumieu O, Buchete NV, Coté S, De Simone A, Doig AJ, Faller P, Garcia A, Laio A, Li MS, Melchionna S, Mousseau N, Mu Y, et al. Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies. Chemical Reviews. 115: 3518-63. PMID 25789869 DOI: 10.1021/cr500638n  0.76
2015 Rahaman O, Kalimeri M, Melchionna S, Hénin J, Sterpone F. Role of Internal Water on Protein Thermal Stability: The Case of Homologous G Domains. The Journal of Physical Chemistry. B. 119: 8939-49. PMID 25317828 DOI: 10.1021/jp507571u  0.76
2014 Sterpone F, Melchionna S, Tuffery P, Pasquali S, Mousseau N, Cragnolini T, Chebaro Y, St-Pierre JF, Kalimeri M, Barducci A, Laurin Y, Tek A, Baaden M, Nguyen PH, Derreumaux P. The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chemical Society Reviews. 43: 4871-93. PMID 24759934 DOI: 10.1039/c4cs00048j  0.76
2013 Sterpone F, Nguyen PH, Kalimeri M, Derreumaux P. Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation. Journal of Chemical Theory and Computation. 9: 4574-4584. PMID 25419192 DOI: 10.1021/ct4003493  0.4
2013 Kalimeri M, Rahaman O, Melchionna S, Sterpone F. How conformational flexibility stabilizes the hyperthermophilic elongation factor G-domain. The Journal of Physical Chemistry. B. 117: 13775-85. PMID 24087838 DOI: 10.1021/jp407078z  0.76
2013 Fogarty AC, Duboué-Dijon E, Sterpone F, Hynes JT, Laage D. Biomolecular hydration dynamics: a jump model perspective. Chemical Society Reviews. 42: 5672-83. PMID 23612685 DOI: 10.1039/c3cs60091b  0.76
2013 Rahaman O, Melchionna S, Laage D, Sterpone F. The effect of protein composition on hydration dynamics Physical Chemistry Chemical Physics. 15: 3570-3576. PMID 23381660 DOI: 10.1039/c3cp44582h  0.76
2012 Sterpone F, Stirnemann G, Laage D. Magnitude and molecular origin of water slowdown next to a protein. Journal of the American Chemical Society. 134: 4116-9. PMID 22335572 DOI: 10.1021/ja3007897  0.76
2012 Sterpone F, Melchionna S. Thermophilic proteins: insight and perspective from in silico experiments. Chemical Society Reviews. 41: 1665-76. PMID 21975514 DOI: 10.1039/c1cs15199a  0.4
2012 Laage D, Stirnemann G, Sterpone F, Hynes JT. Water jump reorientation: from theoretical prediction to experimental observation. Accounts of Chemical Research. 45: 53-62. PMID 21749157 DOI: 10.1021/ar200075u  0.76
2012 Sterpone F, Bonella S, Meloni S. Early stage of the dehydrogenation of NaAlH 4 by ab initio rare event simulations Journal of Physical Chemistry C. 116: 19636-19643. DOI: 10.1021/jp3019588  0.76
2011 Stirnemann G, Sterpone F, Laage D. Dynamics of water in concentrated solutions of amphiphiles: key roles of local structure and aggregation. The Journal of Physical Chemistry. B. 115: 3254-62. PMID 21384808 DOI: 10.1021/jp112001d  0.76
2011 Laage D, Stirnemann G, Sterpone F, Rey R, Hynes JT. Reorientation and allied dynamics in water and aqueous solutions. Annual Review of Physical Chemistry. 62: 395-416. PMID 21219140 DOI: 10.1146/annurev.physchem.012809.103503  0.76
2010 Sterpone F, Bertonati C, Briganti G, Melchionna S. Water around thermophilic proteins: the role of charged and apolar atoms. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 284113. PMID 21399285 DOI: 10.1088/0953-8984/22/28/284113  0.4
2010 Sterpone F, Stirnemann G, Hynes JT, Laage D. Water hydrogen-bond dynamics around amino acids: the key role of hydrophilic hydrogen-bond acceptor groups. The Journal of Physical Chemistry. B. 114: 2083-9. PMID 20085364 DOI: 10.1021/jp9119793  0.76
2009 Sterpone F, Bertonati C, Briganti G, Melchionna S. Key role of proximal water in regulating thermostable proteins. The Journal of Physical Chemistry. B. 113: 131-7. PMID 19072709 DOI: 10.1021/jp805199c  0.4
2009 Laage D, Stirnemann G, Sterpone F, Hynes JT. Water and hydrogen-bond dynamics in aqueous solutions Optics Infobase Conference Papers 0.76
2008 Sterpone F, Briganti G, Melchionna S, Pierleoni C. Pressure-induced core packing and interfacial dehydration in nonionic C12E6 micelle in aqueous solution. Langmuir : the Acs Journal of Surfaces and Colloids. 24: 6067-71. PMID 18494508 DOI: 10.1021/la704065m  0.4
2008 Sterpone F, Rossky PJ. Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase. The Journal of Physical Chemistry. B. 112: 4983-93. PMID 18380505 DOI: 10.1021/jp711848q  0.76
2007 Pizzitutti F, Marchi M, Sterpone F, Rossky PJ. How protein surfaces induce anomalous dynamics of hydration water. The Journal of Physical Chemistry. B. 111: 7584-90. PMID 17564431 DOI: 10.1021/jp0717185  0.76
Show low-probability matches.