D
Davide Provasi
Researcher at Icahn School of Medicine at Mount Sinai
Publications - 88
Citations - 4715
Davide Provasi is an academic researcher from Icahn School of Medicine at Mount Sinai. The author has contributed to research in topics: G protein-coupled receptor & Metadynamics. The author has an hindex of 30, co-authored 82 publications receiving 3820 citations. Previous affiliations of Davide Provasi include University of Milan & Mario Negri Institute for Pharmacological Research.
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PLUMED: a portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi,Davide Branduardi,Giovanni Bussi,Carlo Camilloni,Davide Provasi,Paolo Raiteri,Davide Donadio,Fabrizio Marinelli,Fabio Pietrucci,Ricardo A. Broglia,Ricardo A. Broglia,Michele Parrinello +11 more
TL;DR: A series of routines that can be interfaced with the most popular classical molecular dynamics codes through a simple patching procedure, which leaves the possibility for the user to exploit many different MD engines depending on the system simulated and on the computational resources available.
Journal ArticleDOI
Promoting transparency and reproducibility in enhanced molecular simulations
Massimiliano Bonomi,Massimiliano Bonomi,B. Giovanni,Carlo Camilloni,Gareth A. Tribello,B. Pavel,B. Alessandro,B. Mattia,Peter G. Bolhuis,B. Sandro,B. Davide,Riccardo Capelli,C. Paolo,C. Michele,C. Andrea,C. Haochuan,C. Wei,C. Francesco,D. Sandip,Marco De La Pierre,D. Davide,D. Viktor,E. Bernd,Andrew L. Ferguson,F. Marta,James S. Fraser,F. Haohao,G. Piero,Francesco Luigi Gervasio,G. Federico,G. Alejandro,G. Toni,Gabriella T. Heller,Glen M. Hocky,I. Marcella,I. Michele,I. Michele,Kim E. Jelfs,J. Alexander,K. Evgeny,L. Alessandro,L. Vittorio,L. Vittorio,L. Kresten,L. Thomas,M. Fabrizio,M. Layla,M. Matteo,M. Ralf,M. Angelos,M. Carla,M. Tetsuya,N. Marco,Cristina Paissoni,P. Elena,P. Michele,P. Jim,P. Pablo,P. GiovanniMaria,P. Adriana,P. Fabio,P. Silvio,Davide Provasi,Q. David,R. Paolo,R. Stefano,R. Jakub,S. Matteo,Gabriele C. Sosso,S. Vojtěch,Š. Jiří,David W.H. Swenson,T. Pratyush,V. Omar,V. Michele,Gregory A. Voth,W. Andrew +76 more
TL;DR: These efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations are outlined.
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Incidence of adverse drug reactions in paediatric in/out-patients: a systematic review and meta-analysis of prospective studies.
Piero Impicciatore,Piero Impicciatore,Imti Choonara,Amanda Clarkson,Davide Provasi,Chiara Pandolfini,Maurizio Bonati +6 more
TL;DR: The results show that ADRs in children are a significant public health issue and methodologically sound drug surveillance studies are necessary for an effective promotion of a safer use of drugs in children.
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Decoding the Signaling of a GPCR Heteromeric Complex Reveals a Unifying Mechanism of Action of Antipsychotic Drugs
Miguel Fribourg,José L. Moreno,Terrell Holloway,Davide Provasi,Lia Baki,Rahul Mahajan,Gyu Park,Scott K. Adney,Candice N. Hatcher,Jose M. Eltit,Jeffrey D. Ruta,Laura Albizu,Zheng Li,Adrienne Umali,Jihyun Shim,Alexandre Fabiato,Alexander D. MacKerell,Vladimir Brezina,Stuart C. Sealfon,Marta Filizola,Javier González-Maeso,Diomedes E. Logothetis +21 more
TL;DR: It is shown that a heteromeric complex between the 2AR and the G(i)-linked GPCR, metabotropic glutamate 2 receptor (mGluR2), integrates ligand input, modulating signaling output and behavioral changes, and provides mechanistic insight into antipsychotic action that may advance therapeutic strategies for disorders including schizophrenia and dementia.
Journal ArticleDOI
Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening
Jieqing Zhu,Jianghai Zhu,Andrea Negri,Davide Provasi,Marta Filizola,Barry S. Coller,Timothy A. Springer +6 more
TL;DR: Crystal structures of the α(IIb)β(3) headpiece are determined in the absence of ligand and after soaking in RUC-1, a novel small molecule antagonist, demonstrating the molecular basis for a novel mechanism of integrin antagonism.