Promoting transparency and reproducibility in enhanced molecular simulations
Massimiliano BonomiUMR 3528, CNRS, Paris, FranceMattia BernettiInternational School for Advanced Studies (SISSA), Trieste, ItalyAndrea CesariInternational School for Advanced Studies (SISSA), Trieste, ItalyAlessandro LaioInternational Centre for Theoretical Physics (ICTP), Trieste, ItalyGiovanni BussiInternational School for Advanced Studies (SISSA), Trieste, ItalyCristina PaissoniDipartimento di Bioscienze, Università degli Studi di Milano, Milano, ItalyCarlo CamilloniDipartimento di Bioscienze, Università degli Studi di Milano, Milano, ItalyGareth A. TribelloAtomistic Simulation Centre, Queen’s University Belfast, Belfast, UKPavel BanášFaculty of Science, Palacký University, Olomouc, Czech RepublicAlessandro BarducciCentre de Biochimie Structurale de Montpellier, Montpellier, FranceAlessandro BarducciCentre de Biochimie Structurale de Montpellier, Montpellier, FranceAlessandro BarducciCentre de Biochimie Structurale de Montpellier, Montpellier, FranceAlessandro BarducciCentre de Biochimie Structurale de Montpellier, Montpellier, FranceBernd EnsingVan ’t Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, the NetherlandsPeter G. BolhuisVan ’t Hoff Institute for Molecular Sciences, University of Amsterdam, Amsterdam, the NetherlandsMichele ParrinelloDepartment of Chemistry and Applied Biosciences, ETH Zurich, Lugano, SwitzerlandSandro BottaroItalian Institute of Technology, Genova, ItalyDavide BranduardiSchrödinger Inc., Cambridge, UKRiccardo CapelliComputational Biomedicine (IAS-5/INM-9), Forschungszentrum Jülich, Jülich, GermanyPaolo CarloniComputational Biomedicine (IAS-5/INM-9), Forschungszentrum Jülich, Jülich, GermanyMichele CeriottiInstitute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne, SwitzerlandFederico GibertiInstitute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne, SwitzerlandMichele CeriottiInstitute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne, SwitzerlandFederico GibertiInstitute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne, SwitzerlandHaochuan ChenResearch Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, ChinaHaohao FuResearch Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, ChinaWei ChenDepartment of Physics, University of Illinois, Urbana-Champaign, Urbana, IL, USAFrancesco ColizziInstitute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology (BIST), Barcelona, SpainSandip DeInstitute of Materials, École Polytechnique Fédérale de Lausanne, Lausanne, SwitzerlandMarco De La PierrePawsey Supercomputing Centre, Kensington, Western Australia, AustraliaDavide DonadioDepartment of Chemistry, University of California, Davis, Davis, CA, USAViktor DrobotDepartment of Chemistry, Lomonosov Moscow State University, Moscow, RussiaAndrew L. FergusonPritzker School of Molecular Engineering, University of Chicago, Chicago, IL, USADavide ProvasiDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY, USAMarta FilizolaDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY, USAJames S. FraserCalifornia Institute for Quantitative Biology, University of California, San Francisco, San Francisco, CA, USAPiero GasparottoDepartment of Physics and Astronomy, University College London, London, UKAngelos MichaelidesDepartment of Physics and Astronomy, University College London, London, UKMatteo SalvalaglioDepartment of Chemical Engineering, University College London, London, UKFrancesco Luigi GervasioDepartment of Chemistry, University College London, London, UKAlejandro Gil-LeyNational Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD, USAFabrizio MarinelliNational Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, MD, USAToni GiorginoBiophysics Institute (IBF-CNR), National Research Council, Milan, ItalyThomas LöhrDepartment of Chemistry, University of Cambridge, Cambridge, UKMichele VendruscoloDepartment of Chemistry, University of Cambridge, Cambridge, UKGabriella T. HellerDepartment of Chemistry, University of Cambridge, Cambridge, UKGlen M. HockyDepartment of Chemistry, New York University, New York, NY, USAMarcella IannuzziDepartment of Chemistry, University of Zurich, Zurich, SwitzerlandMichele InvernizziDepartment of Physics, ETH Zurich, Lugano, SwitzerlandGiovanniMaria PicciniDepartment of Chemistry and Applied Biosciences, ETH Zurich, Lugano, SwitzerlandPablo M. PiaggiDepartment of Chemistry and Applied Biosciences, ETH Zurich, Lugano, SwitzerlandKim E. JelfsDepartment of Chemistry, Imperial College London, London, UKAlexander JussupowDepartment of Chemistry, Technical University of Munich, Garching, GermanyAlexander JussupowDepartment of Chemistry, Technical University of Munich, Garching, GermanyEvgeny KirilinBelozersky Institute of Physico-Chemical Biology, Lomonosov Moscow State University, Moscow, RussiaStefano RanioloFaculty of Biomedical Sciences, Institute of Computational Science, Università della Svizzera italiana, Lugano, SwitzerlandVittorio LimongelliDepartment of Pharmacy, University of Naples “Federico II,”, Naples, ItalyKresten Lindorff‐LarsenDepartment of Biology, University of Copenhagen, Copenhagen, DenmarkLayla Martin‐SamosCNR-IOM/Democritos National Simulation Center, Istituto Officina dei Materiali, Trieste, ItalyMatteo MasettiDepartment of Pharmacy and Biotechnology, Alma Mater Studiorum–University of Bologna, Bologna, ItalyRalf MeyerInstitute of Experimental Physics, Graz University of Technology, Graz, AustriaCarla MolteniPhysics Department, King’s College London, London, UKTetsuya MorishitaCD-FMat, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, JapanMarco NavaDepartment of Chemistry, University of Illinois, Urbana-Champaign, Urbana, IL, USAElena PapaleoDanish Cancer Society Research Center, Copenhagen, DenmarkJim PfaendtnerDepartment of Chemical Engineering, University of Washington, Seattle, WA, USAAdriana PietropaoloDipartimento di Scienze della Salute, University of Catanzaro, Catanzaro, ItalyFabio PietrucciInstitut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne Université, Paris, FranceFabio PietrucciInstitut de minéralogie, de physique des matériaux et de cosmochimieFabio PietrucciInstitut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne Université, Paris, FranceSilvio PipoloDepartment of Chemistry, Université de Lille, Lille, FranceDavid QuigleyDepartment of Physics, University of Warwick, Coventry, UKPaolo RaiteriCurtin Institute for Computation, Curtin University, Perth, Western Australia, AustraliaJakub RydzewskiInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Torun, PolandGabriele C. SossoDepartment of Chemistry, University of Warwick, Coventry, UKVojtěch SpiwokDepartment of Biochemistry and Microbiology, University of Chemistry and Technology, Prague, Czech RepublicJiřı́ ŠponerInstitute of Biophysics of the Czech Academy of Sciences, Brno, Czech RepublicDavid W. SwensonCentre Blaise Pascal, École Normal Supérieure de Lyon, Lyon, FrancePratyush TiwaryDepartment of Chemistry and Biochemistry, University of Maryland, College Park, MD, USAÓmar ValssonMax Planck Institute for Polymer Research, Mainz, GermanyGregory A. VothDepartment of Chemistry, the University of Chicago, Chicago, IL, USAAndrew Dickson WhiteDepartment of Chemical Engineering, University of Rochester, Rochester, NY, USA
2019en
ABI
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