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 | 622 | 2015 |
Are current molecular dynamics force fields too helical? RB Best, NV Buchete, G Hummer Biophysical journal 95 (1), L07-L09, 2008 | 567 | 2008 |
Coarse master equations for peptide folding dynamics NV Buchete, G Hummer The Journal of Physical Chemistry B 112 (19), 6057-6069, 2008 | 532 | 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 | 308 | 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 | 239 | 2015 |
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 |
Peptide folding kinetics from replica exchange molecular dynamics NV Buchete, G Hummer Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 77 (3 …, 2008 | 147 | 2008 |
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 | 108 | 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 | 87 | 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 | 81 | 2012 |
Alzheimer Aβ peptide interactions with lipid membranes: fibrils, oligomers and polymorphic amyloid channels F Tofoleanu, NV Buchete Prion 6 (4), 339-345, 2012 | 79 | 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 | 70 | 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 | 67 | 2011 |
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 |
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 | 54 | 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 | 52 | 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 | 40 | 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 |