Nicolae-Viorel (Vio) Buchete

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Gerhard HummerMax Planck Institute of BiophysicsVerified email at biophys.mpg.de
Florentina TofoleanuNATIONAL INSTITUTES OF HEALTHVerified email at nih.gov
John E. StraubProfessor of Chemistry, Boston UniversityVerified email at bu.edu
Devarajan ThirumalaiUniversity of Texas at AustinVerified email at umd.edu
Edina RostaUniversity College LondonVerified email at ucl.ac.uk
Bernard R. BrooksNIH NHLBIVerified email at nih.gov
Brian J. RodriguezUniversity College DublinVerified email at ucd.ie
Robert BestSenior Investigator, National Institutes of HealthVerified email at helix.nih.gov
Bartłomiej TywoniukLe Commissariat à l'énergie atomique et aux énergies alternativesVerified email at ucdconnect.ie
Walter KolchDirector, Systems Biology Ireland, University College DublinVerified email at ucd.ie
Andrei KholkinInstitute of Solid State Phyics, University of LatviaVerified email at cfi.lu.lv
Jessica Nasica-LabouzePostdoctoral Research Fellow, CNRS (Paris, France) / International School for Advanced StudiesVerified email at ibpc.fr
Birgit StrodelProfessor, Computational Biochemistry, Research Centre Jülich & University Düsseldorf, GermanyVerified email at strodel.info
Alessandro LaioSISSAVerified email at sissa.it
Angel E GarciaCenter for Non Linear Studies, Los Alamos National LaboratoryVerified email at lanl.gov
Normand MousseauUniversité de MontréalVerified email at Umontreal.ca
John H VilesQueen Mary, University of LondonVerified email at qmul.ac.uk
Yuguang MuAssociate Professor of Computer BiologyVerified email at ntu.edu.sg
Andrew DoigProfessor of Biochemistry, University of ManchesterVerified email at manchester.ac.uk
Alfonso De SimoneProfessor of Molecular Biology, University of Naples Federico IIVerified email at unina.it

Nicolae-Viorel (Vio) Buchete

Other namesVio Buchete, Viorel Buchete, Nicolae Buchete

Associate Professor, School of Physics and UCD Institute for Discovery, University College Dublin

Verified email at ucd.ie - Homepage

Computational NanoBio Physics: Protein Folding Amyloid Aggregation Molecular Dynamics Rare Events Coarse-grained Modelling


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Amyloid β protein and Alzheimer’s disease: When computer simulations complement experimental studies J Nasica-Labouze, PH Nguyen, F Sterpone, O Berthoumieu, NV Buchete, ... Chemical reviews 115 (9), 3518-3563, 2015	638	2015
Are current molecular dynamics force fields too helical? RB Best, NV Buchete, G Hummer Biophysical journal 95 (1), L07-L09, 2008	575	2008
Coarse master equations for peptide folding dynamics NV Buchete, G Hummer The Journal of Physical Chemistry B 112 (19), 6057-6069, 2008	544	2008
Molecular dynamics simulations of Alzheimer's β-amyloid protofilaments NV Buchete, R Tycko, G Hummer Journal of molecular biology 353 (4), 804-821, 2005	312	2005
Membrane protein structure, function, and dynamics: a perspective from experiments and theory Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ... The Journal of membrane biology 248, 611-640, 2015	259	2015
Peptide folding kinetics from replica exchange molecular dynamics NV Buchete, G Hummer Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 77 (3 …, 2008	150	2008
Development of novel statistical potentials for protein fold recognition NV Buchete, JE Straub, D Thirumalai Current opinion in structural biology 14 (2), 225-232, 2004	150	2004
Structure and dynamics of parallel β-sheets, hydrophobic core, and loops in Alzheimer’s Aβ fibrils NV Buchete, G Hummer Biophysical journal 92 (9), 3032-3039, 2007	143	2007
Thermostat artifacts in replica exchange molecular dynamics simulations E Rosta, NV Buchete, G Hummer Journal of chemical theory and computation 5 (5), 1393-1399, 2009	110	2009
Orientational potentials extracted from protein structures improve native fold recognition NV Buchete, JE Straub, D Thirumalai Protein Science 13 (4), 862-874, 2004	107	2004
Nanoscale piezoelectric properties of self-assembled Fmoc–FF peptide fibrous networks K Ryan, J Beirne, G Redmond, JI Kilpatrick, J Guyonnet, NV Buchete, ... ACS applied materials & interfaces 7 (23), 12702-12707, 2015	99	2015
Molecular interactions of Alzheimer's Aβ protofilaments with lipid membranes F Tofoleanu, NV Buchete Journal of molecular biology 421 (4-5), 572-586, 2012	82	2012
Alzheimer Aβ peptide interactions with lipid membranes: fibrils, oligomers and polymorphic amyloid channels F Tofoleanu, NV Buchete Prion 6 (4), 339-345, 2012	80	2012
Anisotropic coarse-grained statistical potentials improve the ability to identify nativelike protein structures NV Buchete, JE Straub, D Thirumalai The Journal of chemical physics 118 (16), 7658-7671, 2003	71	2003
Dynamics of protein folding: Probing the kinetic network of folding–unfolding transitions with experiment and theory GS Buchner, RD Murphy, NV Buchete, J Kubelka Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1814 (8), 1001-1020, 2011	69	2011
Conformational dynamics and aggregation behavior of piezoelectric diphenylalanine peptides in an external electric field CM Kelly, T Northey, K Ryan, BR Brooks, AL Kholkin, BJ Rodriguez, ... Biophysical chemistry 196, 16-24, 2015	60	2015
Modulation of Alzheimer's Aβ protofilament-membrane interactions by lipid headgroups F Tofoleanu, BR Brooks, NV Buchete ACS Chemical Neuroscience, DOI: 10.1021/cn500277f, 2015	59	2015
Phosphorylation of RAF kinase dimers drives conformational changes that facilitate transactivation PG Jambrina, N Rauch, R Pilkington, K Rybakova, LK Nguyen, ... Angewandte Chemie 128 (3), 995-998, 2016	55	2016
Variational Identification of Markovian Transition States L Martini, A Kells, R Covino, G Hummer, NV Buchete, E Rosta Physical Review X 7 (3), 031060, 2017	43	2017
Mean first-passage time calculations for the coil-to-helix transition: the active helix Ising model NV Buchete, JE Straub The Journal of Physical Chemistry B 105 (28), 6684-6697, 2001	40	2001

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