Orioli, Simone
Orioli, Simone
All-atom calculation of protein free-energy profiles
2017-01-01 Orioli, S.; Ianeselli, A.; Spagnolli, G.; Faccioli, P.
All-Atom Simulations Reveal How Single-Point Mutations Promote Serpin Misfolding
2018-01-01 Wang, Fang; Orioli, Simone; Ianeselli, Alan; Spagnolli, Giovanni; a Beccara, Silvio; Gershenson, Anne; Faccioli, Pietro; Wintrode, Patrick L.
Allostery in Its Many Disguises: From Theory to Applications
2019-01-01 Wodak, Shoshana J; Paci, Emanuele; Dokholyan, Nikolay V; Berezovsky, Igor N; Horovitz, Amnon; Li, Jing; Hilser, Vincent J; Bahar, Ivet; Karanicolas, John; Stock, Gerhard; Hamm, Peter; Stote, Roland H; Eberhardt, Jerome; Chebaro, Yassmine; Dejaegere, Annick; Cecchini, Marco; Changeux, Jean-Pierre; Bolhuis, Peter G; Vreede, Jocelyne; Faccioli, Pietro; Orioli, Simone; Ravasio, Riccardo; Yan, Le; Brito, Carolina; Wyart, Matthieu; Gkeka, Paraskevi; Rivalta, Ivan; Palermo, Giulia; Mccammon, J Andrew; Panecka-Hofman, Joanna; Wade, Rebecca C; Di Pizio, Antonella; Niv, Masha Y; Nussinov, Ruth; Tsai, Chung-Jung; Jang, Hyunbum; Padhorny, Dzmitry; Kozakov, Dima; Mcleish, Tom
Atomic Detail of Protein Folding Revealed by an Ab Initio Reappraisal of Circular Dichroism
2018-01-01 Ianeselli, Alan; Orioli, Simone; Spagnolli, Giovanni; Faccioli, Pietro; Cupellini, Lorenzo; Jurinovich, Sandro; Mennucci, Benedetta
Dimensional reduction of Markov state models from renormalization group theory
2016-01-01 Orioli, Simone; Faccioli, Pietro
Erratum: All-atom calculation of protein free-energy profiles (Journal of Chemical Physics (2017) 147 (152724) DOI: 10.1063/1.5006039)
2019-01-01 Orioli, S.; Ianeselli, A.; Spagnolli, G.; Faccioli, P.
Full atomistic model of prion structure and conversion
2019-01-01 Spagnolli, G.; Rigoli, M.; Orioli, S.; Sevillano, A. M.; Faccioli, P.; Wille, H.; Biasini, E.; Requena, J. R.
Generating and Validating Transition Path Ensembles of Protein Folding
2019-01-01 Orioli, Simone
Pharmacological inactivation of the prion protein by targeting a folding intermediate
2021-01-01 Spagnolli, Giovanni; Massignan, Tania; Astolfi, Andrea; Biggi, Silvia; Rigoli, Marta; Brunelli, Paolo; Libergoli, Michela; Ianeselli, Alan; Orioli, Simone; Boldrini, Alberto; Terruzzi, Luca; Bonaldo, Valerio; Maietta, Giulia; Lorenzo, Nuria L; Fernandez, Leticia C; Codeseira, Yaiza B; Tosatto, Laura; Linsenmeier, Luise; Vignoli, Beatrice; Petris, Gianluca; Gasparotto, Dino; Pennuto, Maria; Guella, Graziano; Canossa, Marco; Altmeppen, Hermann C; Lolli, Graziano; Biressi, Stefano; Pastor, Manuel M; Requena, Jesús R; Mancini, Ines; Barreca, Maria L; Faccioli, Pietro; Biasini, Emiliano
Self-consistent calculation of protein folding pathways
2017-01-01 Orioli, S.; A. Beccara, S.; Faccioli, P.
Transition path theory from biased simulations
2018-01-01 Bartolucci, G.; Orioli, S.; Faccioli, P.