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 | 633 | 2015 |
Amyloid oligomers: A joint experimental/computational perspective on Alzheimer’s disease, Parkinson’s disease, type II diabetes, and amyotrophic lateral sclerosis PH Nguyen, A Ramamoorthy, BR Sahoo, J Zheng, P Faller, JE Straub, ... Chemical reviews 121 (4), 2545-2647, 2021 | 539 | 2021 |
Transmembrane Structures for Alzheimer’s Aβ1−42 Oligomers B Strodel, JWL Lee, CS Whittleston, DJ Wales Journal of the American Chemical Society 132 (38), 13300-13312, 2010 | 184 | 2010 |
Thermodynamics and kinetics of aggregation for the GNNQQNY peptide B Strodel, CS Whittleston, DJ Wales Journal of the American Chemical Society 129 (51), 16005-16014, 2007 | 179 | 2007 |
Effects of in vivo conditions on amyloid aggregation MC Owen, D Gnutt, M Gao, SKTS Wärmländer, J Jarvet, A Gräslund, ... Chemical Society Reviews 48 (14), 3946-3996, 2019 | 175 | 2019 |
Amyloid-type protein aggregation and prion-like properties of amyloids D Willbold, B Strodel, GF Schröder, W Hoyer, H Heise Chemical reviews 121 (13), 8285-8307, 2021 | 151 | 2021 |
Pathways of amyloid-β aggregation depend on oligomer shape B Barz, Q Liao, B Strodel Journal of the American Chemical Society 140 (1), 319-327, 2018 | 146 | 2018 |
Free energy surfaces from an extended harmonic superposition approach and kinetics for alanine dipeptide B Strodel, DJ Wales Chemical Physics Letters 466 (4-6), 105-115, 2008 | 143 | 2008 |
Comparison of force fields for Alzheimer's A: A case study for intrinsically disordered proteins M Carballo‐Pacheco, B Strodel Protein science 26 (2), 174-185, 2017 | 135 | 2017 |
Structures of the Amyloid β-Peptides Aβ1–40 and Aβ1–42 as Influenced by pH and a d-Peptide OO Olubiyi, B Strodel The Journal of Physical Chemistry B 116 (10), 3280-3291, 2012 | 128 | 2012 |
Advances in the simulation of protein aggregation at the atomistic scale M Carballo-Pacheco, B Strodel The journal of physical chemistry B 120 (12), 2991-2999, 2016 | 123 | 2016 |
Structural insights from lipid-bilayer nanodiscs link α-Synuclein membrane-binding modes to amyloid fibril formation T Viennet, MM Wördehoff, B Uluca, C Poojari, H Shaykhalishahi, ... Communications biology 1 (1), 44, 2018 | 112 | 2018 |
An account of amyloid oligomers: facts and figures obtained from experiments and simulations L Nagel‐Steger, MC Owen, B Strodel ChemBioChem 17 (8), 657-676, 2016 | 109 | 2016 |
High throughput virtual screening to discover inhibitors of the main protease of the coronavirus SARS-CoV-2 JLBS O.O. Olubiyi, M. Olagunju, M. Keutmann Molecules 25 (14), 3193, 2020 | 99 | 2020 |
Development and Application of a Nonbonded Cu2+ Model That Includes the Jahn–Teller Effect Q Liao, SCL Kamerlin, B Strodel The Journal of Physical Chemistry Letters 6 (13), 2657-2662, 2015 | 91 | 2015 |
Multiple substrate binding mode-guided engineering of a thermophilic PET hydrolase L Pfaff, J Gao, Z Li, A Jäckering, G Weber, J Mican, Y Chen, W Dong, ... ACS catalysis 12 (15), 9790-9800, 2022 | 89 | 2022 |
Different force fields give rise to different amyloid aggregation pathways in molecular dynamics simulations S Samantray, F Yin, B Kav, B Strodel Journal of chemical information and modeling 60 (12), 6462-6475, 2020 | 89 | 2020 |
Loop motion in triosephosphate isomerase is not a simple open and shut case Q Liao, Y Kulkarni, U Sengupta, D Petrović, AJ Mulholland, ... Journal of the American Chemical Society 140 (46), 15889-15903, 2018 | 88 | 2018 |
Energy landscapes of protein aggregation and conformation switching in intrinsically disordered proteins B Strodel Journal of molecular biology 433 (20), 167182, 2021 | 84 | 2021 |
Amyloid-β peptide dimers undergo a random coil to β-sheet transition in the aqueous phase but not at the neuronal membrane H Fatafta, M Khaled, MC Owen, A Sayyed-Ahmad, B Strodel Proceedings of the National Academy of Sciences 118 (39), e2106210118, 2021 | 84 | 2021 |