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Davide Provasi
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PLUMED: A portable plugin for free-energy calculations with molecular dynamics
M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ...
Computer Physics Communications 180 (10), 1961-1972, 2009
17232009
Incidence of adverse drug reactions in paediatric in/out‐patients: a systematic review and meta‐analysis of prospective studies
P Impicciatore, I Choonara, A Clarkson, D Provasi, C Pandolfini, M Bonati
British journal of clinical pharmacology 52 (1), 77-83, 2001
6662001
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
4332019
Decoding the signaling of a GPCR heteromeric complex reveals a unifying mechanism of action of antipsychotic drugs
M Fribourg, JL Moreno, T Holloway, D Provasi, L Baki, R Mahajan, G Park, ...
Cell 147 (5), 1011-1023, 2011
3182011
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
2322019
Off‐label use of drugs in Italy: a prospective, observational and multicentre study
C Pandolfini, P Impicciatore, D Provasi, F Rocchi, R Campi, M Bonati, ...
Acta paediatrica 91 (3), 339-347, 2002
1502002
Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening
J Zhu, J Zhu, A Negri, D Provasi, M Filizola, BS Coller, TA Springer
Blood, The Journal of the American Society of Hematology 116 (23), 5050-5059, 2010
1342010
Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy
N Coudray, S Valvo, M Hu, R Lasala, C Kim, M Vink, M Zhou, D Provasi, ...
Proceedings of the National Academy of Sciences 110 (6), 2140-2145, 2013
1202013
GPCRmd uncovers the dynamics of the 3D-GPCRome
I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ...
Nature Methods 17 (8), 777-787, 2020
1122020
Assessing the relative stability of dimer interfaces in g protein-coupled receptors
JM Johnston, H Wang, D Provasi, M Filizola
Public Library of Science 8 (8), e1002649, 2012
1122012
Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics
D Provasi, A Bortolato, M Filizola
Biochemistry 48 (42), 10020-10029, 2009
1012009
How oliceridine (TRV-130) binds and stabilizes a μ-opioid receptor conformational state that selectively triggers G protein signaling pathways
S Schneider, D Provasi, M Filizola
Biochemistry 55 (46), 6456-6466, 2016
982016
Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques
D Provasi, MC Artacho, A Negri, JC Mobarec, M Filizola
PLoS computational biology 7 (10), e1002193, 2011
922011
Making structural sense of dimerization interfaces of delta opioid receptor homodimers
JM Johnston, M Aburi, D Provasi, A Bortolato, E Urizar, NA Lambert, ...
Biochemistry 50 (10), 1682-1690, 2011
922011
Exploring the protein G helix free‐energy surface by solute tempering metadynamics
C Camilloni, D Provasi, G Tiana, RA Broglia
Proteins: Structure, Function, and Bioinformatics 71 (4), 1647-1654, 2008
802008
C 28: A possible room temperature organic superconductor
N Breda, RA Broglia, G Colo, G Onida, D Provasi, E Vigezzi
Physical Review B 62 (1), 130, 2000
752000
Putative active states of a prototypic g-protein-coupled receptor from biased molecular dynamics
D Provasi, M Filizola
Biophysical Journal 98 (10), 2347-2355, 2010
712010
Proposed mode of binding and action of positive allosteric modulators at opioid receptors
Y Shang, HR Yeatman, D Provasi, A Alt, A Christopoulos, M Canals, ...
ACS chemical biology 11 (5), 1220-1229, 2016
702016
Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-association
D Provasi, MB Boz, JM Johnston, M Filizola
PLoS Computational Biology 11 (3), e1004148, 2015
672015
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis
X Hu, Y Wang, A Hunkele, D Provasi, GW Pasternak, M Filizola
PLoS computational biology 15 (1), e1006689, 2019
552019
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