PACI, EMANUELE
PACI, EMANUELE
DIPARTIMENTO DI FISICA E ASTRONOMIA "AUGUSTO RIGHI"
Docenti di ruolo di IIa fascia
A mechanism for agonist activation of the glucagon-like Peptide-1 (GLP-1) receptor through modelling & molecular dynamics
2018 Santiago C.G.; Paci E.; Donnelly D.
Activation energies by molecular dynamics with constraints
1991 Paci E.; Ciccotti G.; Ferrario M.; Kapral R.
Activation of PKA via asymmetric allosteric coupling of structurally conserved cyclic nucleotide binding domains
2019 Hao Y.; England J.P.; Bellucci L.; Paci E.; Hodges H.C.; Taylor S.S.; Maillard R.A.
Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics
2016 O'Connor M.; Paci E.; McIntosh-Smith S.; Glowacki D.R.
ADOPT: intrinsic protein disorder prediction through deep bidirectional transformers
2022 Istvan Redl; Carlo Fisicaro; Oliver Dutton; Falk Hoffmann; Louie Henderson; Benjamin M.J. Owens; Matthew Heberling; Emanuele Paci; Kamil Tamiola
ALMOST: An all atom molecular simulation toolkit for protein structure determination
2014 Fu B.; Sahakyan A.B.; Camilloni C.; Tartaglia G.G.; Paci E.; Caflisch A.; Vendruscolo M.; Cavalli A.
Analysis of the distributed computing approach applied to the folding of a small β peptide
2003 Paci E.; Cavalli A.; Vendruscolo M.; Caflisch A.
Analysis of the free-energy surface of proteins from reversible folding simulations
2009 Allen L.R.; Krivov S.V.; Paci E.
Assessment of ab initio models of protein complexes by molecular dynamics
2018 Radom F.; Pluckthun A.; Paci E.
Boxed molecular dynamics: A simple and general technique for accelerating rare event kinetics and mapping free energy in large molecular systems
2009 Glowacki D.R.; Paci E.; Shalashilin D.V.
Boxed molecular dynamics: Decorrelation time scales and the kinetic master equation
2011 Glowacki D.R.; Paci E.; Shalashilin D.V.
Change of the unbinding mechanism upon a mutation: A molecular dynamics study of an antibody-hapten complex
2005 Curcio R.; Caflisch A.; Paci E.
Characterization of long and stable de novo single alpha-helix domains provides novel insight into their stability
2017 Wolny M.; Batchelor M.; Bartlett G.J.; Baker E.G.; Kurzawa M.; Knight P.J.; Dougan L.; Woolfson D.N.; Paci E.; Peckham M.
Characterization of the flexibility of the peripheral stalk of prokaryotic rotary A-ATPases by atomistic simulations
2016 Papachristos K.; Muench S.P.; Paci E.
Characterization of the molten globule state of retinol-binding protein using a molecular dynamics simulation approach
2005 Paci E.; Greene L.H.; Jones R.M.; Smith L.J.
CHARMM: The biomolecular simulation program
2009 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.
Collagen-like Motifs of SasG: A Novel Fold for Protein Mechanical Strength
2023 Bruce A.J.E.; Paci E.; Brockwell D.J.
Communication: Conformation state diagram of polypeptides: A chain length induced α - β transition
2011 Ricchiuto P.; Brukhno A.V.; Paci E.; Auer S.
Comparison of sequence-based and structure-based energy functions for the reversible folding of a peptide
2005 Cavalli A.; Vendruscolo M.; Paci E.
Complex unfolding kinetics of single-domain proteins in the presence of force
2010 Schlierf M.; Yew Z.T.; Rief M.; Paci E.