N
Nicolae-Viorel Buchete
Researcher at University College Dublin
Publications - 50
Citations - 3305
Nicolae-Viorel Buchete is an academic researcher from University College Dublin. The author has contributed to research in topics: Molecular dynamics & Fibril. The author has an hindex of 24, co-authored 47 publications receiving 2982 citations. Previous affiliations of Nicolae-Viorel Buchete include National Institutes of Health & Boston University.
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Amyloid β Protein and Alzheimer’s Disease: When Computer Simulations Complement Experimental Studies
Jessica Nasica-Labouze,Phuong H. Nguyen,Fabio Sterpone,Olivia Berthoumieu,Nicolae-Viorel Buchete,Sébastien Côté,Alfonso De Simone,Andrew J. Doig,Peter Faller,Angel E. Garcia,Alessandro Laio,Mai Suan Li,Simone Melchionna,Normand Mousseau,Yuguang Mu,Anant K. Paravastu,Samuela Pasquali,David J. Rosenman,Birgit Strodel,Bogdan Tarus,John H. Viles,Tong Zhang,Tong Zhang,Chunyu Wang,Philippe Derreumaux,Philippe Derreumaux +25 more
TL;DR: Simulations Complement Experimental Studies Jessica Nasica-Labouze, Phuong H. Nguyen, Fabio Sterpone,† Olivia Berthoumieu,‡ Nicolae-Viorel Buchete, Sebastien Cote, Alfonso De Simone, Andrew J. Doig, and Philippe Derreumaux are authors of this paper.
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Coarse master equations for peptide folding dynamics
TL;DR: The coarse master equations for peptide folding dynamics are constructed from atomistic molecular dynamics simulations and give access to the slow conformational dynamics but also shed light on the molecular mechanisms of the helix-coil transition.
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Are Current Molecular Dynamics Force Fields too Helical
TL;DR: Simulation of Ala(5) in water finds that most current force fields do overpopulate the alpha-region, with quantitative results depending on the choice of Karplus relation and on the peptide termini, while experiments on short peptides open the way toward the systematic improvement of current simulation models.
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Molecular dynamics simulations of Alzheimer's beta-amyloid protofilaments.
TL;DR: Calculated X-ray fiber diffraction patterns show the characteristics of packed β-sheets seen in experiments, and suggest new experiments that could discriminate between various fibril topologies, as well as suggesting four different topologies that all four NMR-based models are structurally stable.
Journal ArticleDOI
Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory
Zoe Cournia,Toby W. Allen,Toby W. Allen,Ioan Andricioaei,Bruno Antonny,Daniel Baum,Grace Brannigan,Nicolae-Viorel Buchete,Jason Deckman,Lucie Delemotte,Coral del Val,Ran Friedman,Paraskevi Gkeka,Hans-Christian Hege,Jérôme Hénin,Marina A. Kasimova,Marina A. Kasimova,Antonios Kolocouris,Michael L. Klein,Syma Khalid,M. Joanne Lemieux,Norbert Lindow,Mahua Roy,Jana Selent,Mounir Tarek,Mounir Tarek,Florentina Tofoleanu,Stefano Vanni,Sinisa Urban,David J. Wales,Jeremy C. Smith,Ana-Nicoleta Bondar +31 more
TL;DR: Current studies in computational and experimental membrane protein biophysics are presented, and how they address outstanding challenges in understanding the complex environmental effects on the structure, function, and dynamics of membrane proteins are shown.