PACI, EMANUELE

PACI, EMANUELE  

DIPARTIMENTO DI FISICA E ASTRONOMIA "AUGUSTO RIGHI"  

Docenti di ruolo di IIa fascia  

Risultati 1 - 20 di 100 (tempo di esecuzione: 0.016 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
Activation energies by molecular dynamics with constraints Paci E.; Ciccotti G.; Ferrario M.; Kapral R. 1991-01-01 CHEMICAL PHYSICS LETTERS - 1.01 Articolo in rivista -
Activation of PKA via asymmetric allosteric coupling of structurally conserved cyclic nucleotide binding domains Hao Y.; England J.P.; Bellucci L.; Paci E.; Hodges H.C.; Taylor S.S.; Maillard R.A. 2019-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista -
Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics O'Connor M.; Paci E.; McIntosh-Smith S.; Glowacki D.R. 2016-01-01 FARADAY DISCUSSIONS - 1.01 Articolo in rivista -
ALMOST: An all atom molecular simulation toolkit for protein structure determination Fu B.; Sahakyan A.B.; Camilloni C.; Tartaglia G.G.; Paci E.; Caflisch A.; Vendruscolo M.; Cavalli A. 2014-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista -
Analysis of the distributed computing approach applied to the folding of a small β peptide Paci E.; Cavalli A.; Vendruscolo M.; Caflisch A. 2003-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 1.01 Articolo in rivista -
Analysis of the free-energy surface of proteins from reversible folding simulations Allen L.R.; Krivov S.V.; Paci E. 2009-01-01 PLOS COMPUTATIONAL BIOLOGY - 1.01 Articolo in rivista -
Assessment of ab initio models of protein complexes by molecular dynamics Radom F.; Pluckthun A.; Paci E. 2018-01-01 PLOS COMPUTATIONAL BIOLOGY - 1.01 Articolo in rivista -
Boxed molecular dynamics: A simple and general technique for accelerating rare event kinetics and mapping free energy in large molecular systems Glowacki D.R.; Paci E.; Shalashilin D.V. 2009-01-01 JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL - 1.01 Articolo in rivista -
Boxed molecular dynamics: Decorrelation time scales and the kinetic master equation Glowacki D.R.; Paci E.; Shalashilin D.V. 2011-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody-hapten complex Curcio R.; Caflisch A.; Paci E. 2005-01-01 PROTEIN SCIENCE - 1.01 Articolo in rivista -
Characterization of long and stable de novo single alpha-helix domains provides novel insight into their stability Wolny M.; Batchelor M.; Bartlett G.J.; Baker E.G.; Kurzawa M.; Knight P.J.; Dougan L.; Woolfson D.N.; Paci E.; Peckham M. 2017-01-01 SCIENTIFIC REPORTS - 1.01 Articolo in rivista -
Characterization of the flexibility of the peripheral stalk of prokaryotic rotary A-ATPases by atomistic simulations Papachristos K.; Muench S.P.; Paci E. 2016-01-01 PROTEINS - 1.01 Articolo in rivista -
Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach Paci E.; Greene L.H.; Jones R.M.; Smith L.J. 2005-01-01 THE FEBS JOURNAL - 1.01 Articolo in rivista -
CHARMM: The biomolecular simulation program Brooks B.R.; Brooks III C.L.; Mackerell Jr. A.D.; Nilsson L.; Petrella R.J.; Roux B.; Won Y.; Archontis G.; Bartels C.; Boresch S.; Caflisch A.; Caves L.; Cui Q.; Dinner A.R.; Feig M.; Fischer S.; Gao J.; Hodoscek M.; Im W.; Kuczera K.; Lazaridis T.; Ma J.; Ovchinnikov V.; Paci E.; Pastor R.W.; Post C.B.; Pu J.Z.; Schaefer M.; Tidor B.; Venable R.M.; Woodcock H.L.; Wu X.; Yang W.; York D.M.; Karplus M. 2009-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista -
Communication: Conformation state diagram of polypeptides: A chain length induced α - β transition Ricchiuto P.; Brukhno A.V.; Paci E.; Auer S. 2011-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Comparison of sequence-based and structure-based energy functions for the reversible folding of a peptide Cavalli A.; Vendruscolo M.; Paci E. 2005-01-01 BIOPHYSICAL JOURNAL - 1.01 Articolo in rivista -
Complex unfolding kinetics of single-domain proteins in the presence of force Schlierf M.; Yew Z.T.; Rief M.; Paci E. 2010-01-01 BIOPHYSICAL JOURNAL - 1.01 Articolo in rivista -
Computational methods to predict the mutational landscape of the spike protein Paci E.; Ross J.F. 2021-01-01 BIOPHYSICAL JOURNAL - 1.01 Articolo in rivista -
Computational Modeling of Designed Ankyrin Repeat Protein Complexes with Their Targets Radom F.; Paci E.; Pluckthun A. 2019-01-01 JOURNAL OF MOLECULAR BIOLOGY - 1.01 Articolo in rivista -
Cooperative folding of intrinsically disordered domains drives assembly of a strong elongated protein Gruszka D.T.; Whelan F.; Farrance O.E.; Fung H.K.H.; Paci E.; Jeffries C.M.; Svergun D.I.; Baldock C.; Baumann C.G.; Brockwell D.J.; Potts J.R.; Clarke J. 2015-01-01 NATURE COMMUNICATIONS - 1.01 Articolo in rivista -