| 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 | 151 | 2018 |
| Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on epidermal growth factor receptor (EGFR) QH Liao, QZ Gao, J Wei, KC Chou Medicinal Chemistry 7 (1), 24-31, 2011 | 99 | 2011 |
| 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 | 93 | 2015 |
| 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 |
| Characterization of Mn (II) ion binding to the amyloid-β peptide in Alzheimer⿿ s disease C Wallin, YS Kulkarni, A Abelein, J Jarvet, Q Liao, B Strodel, L Olsson, ... Journal of Trace Elements in Medicine and Biology 38, 183-193, 2016 | 77 | 2016 |
| Amyloid-β peptide interactions with amphiphilic surfactants: Electrostatic and hydrophobic effects N Osterlund, YS Kulkarni, AD Misiaszek, C Wallin, DM Krüger, Q Liao, ... ACS chemical neuroscience 9 (7), 1680-1692, 2018 | 60* | 2018 |
| Enhanced sampling and free energy calculations for protein simulations Q Liao Progress in molecular biology and translational science 170, 177-213, 2020 | 54 | 2020 |
| Enzyme architecture: Modeling the operation of a hydrophobic clamp in catalysis by triosephosphate isomerase YS Kulkarni, Q Liao, D Petrović, DM Krüger, B Strodel, TL Amyes, ... Journal of the American Chemical Society 139 (30), 10514-10525, 2017 | 49 | 2017 |
| Extending the nonbonded cationic dummy model to account for ion-induced dipole interactions Q Liao, A Pabis, B Strodel, SCL Kamerlin The journal of physical chemistry letters 8 (21), 5408-5414, 2017 | 45 | 2017 |
| Aβ under stress: the effects of acidosis, Cu 2+-binding, and oxidation on amyloid β-peptide dimers Q Liao, MC Owen, S Bali, B Barz, B Strodel Chemical communications 54 (56), 7766-7769, 2018 | 42 | 2018 |
| Enzyme evolution: An epistatic ratchet versus a smooth reversible transition M Ben-David, M Soskine, A Dubovetskyi, KP Cherukuri, O Dym, ... Molecular biology and evolution 37 (4), 1133-1147, 2020 | 34 | 2020 |
| Role of ligand-driven conformational changes in enzyme catalysis: Modeling the reactivity of the catalytic cage of triosephosphate isomerase YS Kulkarni, Q Liao, F Byléhn, TL Amyes, JP Richard, SCL Kamerlin Journal of the American Chemical Society 140 (11), 3854-3857, 2018 | 32 | 2018 |
| Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut V Taleb, Q Liao, Y Narimatsu, A García-García, I Compañón, RJ Borges, ... Nature communications 13 (1), 4324, 2022 | 28 | 2022 |
| Long time-scale atomistic simulations of the structure and dynamics of transcription factor-DNA recognition Q Liao, M Lüking, DM Krüger, S Deindl, J Elf, PM Kasson, ... The Journal of Physical Chemistry B 123 (17), 3576-3590, 2019 | 25 | 2019 |
| Conformational transitions of the Amyloid‐β peptide upon copper (II) binding and pH changes Q Liao, MC Owen, OO Olubiyi, B Barz, B Strodel Israel Journal of Chemistry 57 (7-8), 771-784, 2017 | 25 | 2017 |
| Molecular modeling, dynamics, and an insight into the structural inhibition of cofactor independent phosphoglycerate mutase isoform 1 from Wuchereria bancrofti using … OP Sharma, Y Vadlamudi, Q Liao, B Strodel, M Suresh Kumar Journal of Biomolecular Structure and Dynamics 31 (7), 765-778, 2013 | 16 | 2013 |
| 3D-QSAR study of corticotropin-releasing factor 1 antagonists and pharmacophore-based drug design Y Ye, Q Liao, J Wei, Q Gao Neurochemistry international 56 (1), 107-117, 2010 | 16 | 2010 |
| Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer … BL Dong, QH Liao, J Wei Journal of molecular modeling 17, 1727-1734, 2011 | 15 | 2011 |
| The N-terminal helix-turn-helix motif of transcription factors MarA and Rob drives DNA recognition M Corbella, Q Liao, C Moreira, A Parracino, PM Kasson, SCL Kamerlin The Journal of Physical Chemistry B 125 (25), 6791-6806, 2021 | 14 | 2021 |
| Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase A Barrozo, Q Liao, M Esguerra, G Marloie, J Florián, NH Williams, ... Organic & Biomolecular Chemistry 16 (12), 2060-2073, 2018 | 14 | 2018 |