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1.1 Journal article: [11048] Home page tipologia

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Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 4.901 a 4.920 di 11.048

Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4

2016-01-01 Paloncýová, M.; Navrátilová, V.; Berka, K.; Laio, Alessandro; Otyepka, M.

Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide

2016-01-01 Lousa, D.; Pinto, A. R. T.; Victor, B. L.; Laio, Alessandro; Veiga, A. S.; Castanho, M. A. R. B.; Soares, C. M.

Non-Markovian effects on protein sequence evolution due to site dependent substitution rates

2016-01-01 Rizzato, Francesca; Rodriguez, Alex; Laio, Alessandro

Metadynamics surfing on topology barriers: the CP N−1 case

2016-01-01 Laio, Alessandro; Martinelli, Guido; Sanfilippo, Francesco

Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations

2016-01-01 Ghaemi, Zhaleh; Alberga, Domenico; Carloni, Paolo; Laio, Alessandro; Lattanzi, Gianluca

Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses

2016-01-01 Sarti, Edoardo; Gladich, Ivan; Zamuner, Stefano; Correia, Bruno E; Laio, Alessandro

Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost

2016-01-01 Rosa, Marta; Micciarelli, Marco; Laio, Alessandro; Baroni, Stefano

Markov state modeling of sliding friction

2016-01-01 Pellegrini, Franco; Landes, F. P.; Laio, Alessandro; Prestipino, S.; Tosatti, Erio

Computational design of cyclic peptides for the customized oriented immobilization of globular proteins

2017-01-01 Soler, Miguel A; Rodriguez, Alex; Russo, Anna; Adedeji, Abimbola Feyisara; Dongmo Foumthuim, Cedrix J; Cantarutti, Cristina; Ambrosetti, Elena; Casalis, Loredana; Corazza, Alessandra; Scoles, Giacinto; Marasco, Daniela; Laio, Alessandro; Fortuna, Sara

fMRI single trial discovery of spatio-temporal brain activity patterns

2017-01-01 Allegra, Michele; Seyed Allaei, Shima; Pizzagalli, Fabrizio; Baftizadeh, Fahimeh; Maieron, Marta; Reverberi, Carlo; Laio, Alessandro; Amati, Daniele

Short-Time Behavior and Criticality of Driven Lattice Gases

2017-01-01 Basu, Urna; Volpati, Valerio; Caracciolo, Sergio; Gambassi, Andrea

Dynamical Crossovers in Prethermal Critical States

2017-01-01 Chiocchetta, A.; Gambassi, Andrea; Diehl, S.; Marino, Jamir

Prethermalization from a low-density Holstein-Primakoff expansion

2016-01-01 Marcuzzi, Matteo; Marino, Jamir; Gambassi, Andrea; Silva, Alessandro

Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo

2016-01-01 Barborini, Matteo; Sorella, Sandro; Rontani, Massimo; Corni, Stefano

Toward Accurate Adsorption Energetics on Clay Surfaces

2016-01-01 Zen, Andrea; Roch, Loïc M; Cox, Stephen J; Hu, Xiao Liang; Sorella, Sandro; Alfè, Dario; Michaelides, Angelos

Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics

2017-01-01 Mouhat, Félix; Sorella, Sandro; Vuilleumier, Rodolphe; Saitta, Antonino Marco; Casula, Michele

Exact special twist method for quantum Monte Carlo simulations

2016-01-01 Dagrada, Mario; Karakuzu, Seher; Vildosola, Verónica Laura; Casula, Michele; Sorella, Sandro

Accelerating ab initio Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen

2017-01-01 Mazzola, Guglielmo; Sorella, Sandro

Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model

2016-01-01 Tocchio, Luca Fausto; Becca, Federico; Sorella, Sandro

Seed conformal blocks in 4D CFT

2016-01-01 Echeverri, A. C.; Elkhidir, E.; Karateev, Denis; Serone, Marco

Titolo	Data di pubblicazione	Autori
Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4	1-gen-2016	Paloncýová, M.Navrátilová, V.Berka, K.Laio, AlessandroOtyepka, M. + -
Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide	1-gen-2016	Lousa, D.Pinto, A. R. T.Victor, B. L.Laio, AlessandroVeiga, A. S.Castanho, M. A. R. B.Soares, C. M. + -
Non-Markovian effects on protein sequence evolution due to site dependent substitution rates	1-gen-2016	Rizzato, FrancescaRodriguez, AlexLaio, Alessandro
Metadynamics surfing on topology barriers: the CP N−1 case	1-gen-2016	Laio, AlessandroMartinelli, GuidoSanfilippo, Francesco
Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations	1-gen-2016	Ghaemi, ZhalehAlberga, DomenicoCarloni, PaoloLaio, AlessandroLattanzi, Gianluca + -
Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses	1-gen-2016	Sarti, EdoardoGladich, IvanZamuner, StefanoCorreia, Bruno ELaio, Alessandro + -
Sampling Molecular Conformers in Solution with Quantum Mechanical Accuracy at a Nearly Molecular-Mechanics Cost	1-gen-2016	Rosa, MartaMicciarelli, MarcoLaio, AlessandroBaroni, Stefano
Markov state modeling of sliding friction	1-gen-2016	Pellegrini, FrancoLandes, F. P.Laio, AlessandroPrestipino, S.Tosatti, Erio + -
Computational design of cyclic peptides for the customized oriented immobilization of globular proteins	1-gen-2017	Soler, Miguel ARodriguez, AlexRusso, AnnaAdedeji, Abimbola FeyisaraDongmo Foumthuim, Cedrix JCantarutti, CristinaAmbrosetti, ElenaCasalis, LoredanaCorazza, AlessandraScoles, GiacintoMarasco, DanielaLaio, AlessandroFortuna, Sara + -
fMRI single trial discovery of spatio-temporal brain activity patterns	1-gen-2017	Allegra, MicheleSeyed Allaei, ShimaPizzagalli, FabrizioBaftizadeh, FahimehMaieron, MartaReverberi, CarloLaio, AlessandroAmati, Daniele + -
Short-Time Behavior and Criticality of Driven Lattice Gases	1-gen-2017	BASU, UrnaVolpati, ValerioCaracciolo, SergioGambassi, Andrea
Dynamical Crossovers in Prethermal Critical States	1-gen-2017	Chiocchetta, A.Gambassi, AndreaDiehl, S.Marino, Jamir + -
Prethermalization from a low-density Holstein-Primakoff expansion	1-gen-2016	Marcuzzi, MatteoMarino, JamirGambassi, AndreaSilva, Alessandro
Correlation Effects in Scanning Tunneling Microscopy Images of Molecules Revealed by Quantum Monte Carlo	1-gen-2016	Barborini, MatteoSorella, SandroRontani, MassimoCorni, Stefano + -
Toward Accurate Adsorption Energetics on Clay Surfaces	1-gen-2016	Zen, AndreaRoch, Loïc MCox, Stephen JHu, Xiao LiangSorella, SandroAlfè, DarioMichaelides, Angelos + -
Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics	1-gen-2017	Mouhat, FélixSorella, SandroVuilleumier, RodolpheSaitta, Antonino MarcoCasula, Michele + -
Exact special twist method for quantum Monte Carlo simulations	1-gen-2016	Dagrada, MarioKarakuzu, SeherVildosola, Verónica LauraCasula, MicheleSorella, Sandro + -
Accelerating ab initio Molecular Dynamics and Probing the Weak Dispersive Forces in Dense Liquid Hydrogen	1-gen-2017	Mazzola, GuglielmoSorella, Sandro
Hidden Mott transition and large-U superconductivity in the two-dimensional Hubbard model	1-gen-2016	Tocchio, Luca FaustoBecca, FedericoSorella, Sandro
Seed conformal blocks in 4D CFT	1-gen-2016	Echeverri, A. C.Elkhidir, E.Karateev, DenisSerone, Marco + -

Prodotti della tipologia (ordinati per Data di deposito in Decrescente ordine): 4.901 a 4.920 di 11.048

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