Nicolae-Viorel (Vio) Buchete
Nicolae-Viorel (Vio) Buchete
Associate Professor, School of Physics and UCD Institute for Discovery, University College Dublin
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Are current molecular dynamics force fields too helical?
RB Best, NV Buchete, G Hummer
Biophysical journal 95 (1), L07-L09, 2008
4602008
Coarse master equations for peptide folding dynamics
NV Buchete, G Hummer
The Journal of Physical Chemistry B 112 (19), 6057-6069, 2008
4292008
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
4092015
Molecular dynamics simulations of Alzheimer's β-amyloid protofilaments
NV Buchete, R Tycko, G Hummer
Journal of molecular biology 353 (4), 804-821, 2005
2732005
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
1362004
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
1322007
Peptide folding kinetics from replica exchange molecular dynamics
NV Buchete, G Hummer
Physical Review E 77 (3), 030902, 2008
1262008
Orientational potentials extracted from protein structures improve native fold recognition
NV Buchete, JE Straub, D Thirumalai
Protein Science 13 (4), 862-874, 2004
1002004
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 (4), 611-640, 2015
992015
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
962009
Alzheimer Aβ peptide interactions with lipid membranes: fibrils, oligomers and polymorphic amyloid channels
F Tofoleanu, NV Buchete
Prion 6 (4), 339-345, 2012
672012
Molecular interactions of Alzheimer's Aβ protofilaments with lipid membranes
F Tofoleanu, NV Buchete
Journal of molecular biology 421 (4-5), 572-586, 2012
652012
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
622003
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
582011
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
442015
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
372015
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
352016
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
352015
Substrate-induced conformational changes and dynamics of UDP-N-acetylgalactosamine: polypeptide N-acetylgalactosaminyltransferase-2
AL Milac, NV Buchete, TA Fritz, G Hummer, LA Tabak
Journal of molecular biology 373 (2), 439-451, 2007
342007
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
342001
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Artiklar 1–20