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 | 258 | 2015 |
Molecular interactions of Alzheimer's Aβ protofilaments with lipid membranes F Tofoleanu, NV Buchete Journal of molecular biology 421 (4), 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 |
Modulation of Alzheimer’s Aβ protofilament-membrane interactions by lipid headgroups F Tofoleanu, BR Brooks, NV Buchete ACS chemical neuroscience 6 (3), 446-455, 2015 | 59 | 2015 |
The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1 KM Knecht, O Buzovetsky, C Schneider, D Thomas, V Srikanth, L Kaderali, ... Proceedings of the National Academy of Sciences 115 (43), E10022-E10031, 2018 | 41 | 2018 |
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and p K corrections. G König, F Pickard, F Tofoleanu, J Lee, A Simmonett, B Brooks, Y Shao, ... Journal of Computer-Aided Molecular Design 30 (11), 2016 | 36 | 2016 |
Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pKa corrections FC Pickard, G König, F Tofoleanu, J Lee, AC Simmonett, Y Shao, ... Journal of Computer-Aided Molecular Design 30 (11), 1087-1100, 2016 | 36 | 2016 |
Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in … G König, FC Pickard, J Huang, AC Simmonett, F Tofoleanu, J Lee, ... Journal of Computer-Aided Molecular Design, 1-18, 2016 | 35 | 2016 |
Electrospinning of gelatin/chitin composite nanofibers V Tura, F Tofoleanu, I Mangalagiu, TB Mindru, F Brinza, N Sulitanu, ... Journal of optoelectronics and advanced materials 10 (12), 3505-3511, 2008 | 23 | 2008 |
Comparison of the umbrella sampling and the double decoupling method in binding free energy predictions for SAMPL6 octa-acid host–guest challenges N Nishikawa, K Han, X Wu, F Tofoleanu, BR Brooks Journal of computer-aided molecular design, 1-12, 2018 | 22 | 2018 |
Are peptides good two-state folders? AM Berezhkovskii, F Tofoleanu, NV Buchete Journal of chemical theory and computation 7 (8), 2370-2375, 2011 | 22 | 2011 |
Electrospun gelatin nanofibers functionalized with silver nanoparticles F Tofoleanu, T Balau Mindru, F Brinza, N Sulitanu, IG Sandu, D Raileanu, ... Journal of optoelectronics and advanced materials 10 (12), 3512-3516, 2008 | 21 | 2008 |
Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge J Lee, F Tofoleanu, FC Pickard, G König, J Huang, A Damjanović, M Baek, ... Journal of computer-aided molecular design 31 (1), 71-85, 2017 | 18 | 2017 |
Prediction of CB [8] host–guest binding free energies in SAMPL6 using the double-decoupling method K Han, PS Hudson, MR Jones, N Nishikawa, F Tofoleanu, BR Brooks Journal of computer-aided molecular design, 1-16, 2018 | 17 | 2018 |
Absolute binding free energies for octa-acids and guests in SAMPL5 F Tofoleanu, J Lee, FC Pickard IV, G König, J Huang, M Baek, C Seok, ... Journal of computer-aided molecular design 31 (1), 107-118, 2017 | 15 | 2017 |
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase F Maschietto, UN Morzan, F Tofoleanu, A Gheeraert, A Chaudhuri, ... Nature communications 14 (1), 2239, 2023 | 13 | 2023 |
Structural Modulation of Human Amylin Protofilaments by Naturally Occurring Mutations F Tofoleanu, Y Yuan, FC Pickard IV, B Tywoniuk, BR Brooks, NV Buchete The Journal of Physical Chemistry B 122 (21), 5657-5665, 2018 | 13 | 2018 |
Amyloid Fibril Design: Limiting Structural Polymorphism in Alzheimer’s Aβ Protofilaments B Tywoniuk, Y Yuan, S McCartan, BM Szydlowska, F Tofoleanu, ... The Journal of Physical Chemistry B, 2018 | 10 | 2018 |
Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory. J Hénin, MA Kasimova, A Kolocouris, ML Klein, S Khalid, MJ Lemieux, ... J. Membr. Biol. 248, 2015 | 1 | 2015 |
The Heat is On: Temperature Increase Mimics Allosteric Signaling in Imidazole-Glycerol Phosphate Synthase F Maschietto, U Morzan, F Tofoleanu, A Gheeraert, A Chaudhuri, G Kyro, ... | | 2022 |