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 | 614 | 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 | 479 | 2021 |
Monomer adds to preformed structured oligomers of Aβ-peptides by a two-stage dock–lock mechanism PH Nguyen, MS Li, G Stock, JE Straub, D Thirumalai Proceedings of the National Academy of Sciences 104 (1), 111-116, 2007 | 409 | 2007 |
Biomolecules under mechanical force S Kumar, MS Li Physics Reports 486 (1-2), 1-74, 2010 | 254 | 2010 |
Inhibition of aggregation of amyloid peptides by beta-sheet breaker peptides and their binding affinity MH Viet, ST Ngo, NS Lam, MS Li The Journal of Physical Chemistry B 115 (22), 7433-7446, 2011 | 206 | 2011 |
Effects of all-atom force fields on amyloid oligomerization: replica exchange molecular dynamics simulations of the Aβ 16–22 dimer and trimer PH Nguyen, MS Li, P Derreumaux Physical Chemistry Chemical Physics 13 (20), 9778-9788, 2011 | 183 | 2011 |
Free energy landscape and folding mechanism of a β‐hairpin in explicit water: A replica exchange molecular dynamics study PH Nguyen, G Stock, E Mittag, CK Hu, MS Li PROTEINS: Structure, Function, and Bioinformatics 61 (4), 795-808, 2005 | 151 | 2005 |
Does SARS-CoV-2 bind to human ACE2 more strongly than does SARS-CoV? HL Nguyen, PD Lan, NQ Thai, DA Nissley, EP O’Brien, MS Li The Journal of Physical Chemistry B 124 (34), 7336-7347, 2020 | 134 | 2020 |
Factors governing fibrillogenesis of polypeptide chains revealed by lattice models MS Li, NT Co, G Reddy, CK Hu, JE Straub, D Thirumalai Physical review letters 105 (21), 218101, 2010 | 114 | 2010 |
Probing the mechanisms of fibril formation using lattice models MS Li, DK Klimov, JE Straub, D Thirumalai The Journal of chemical physics 129 (17), 2008 | 111 | 2008 |
Paramagnetic Meissner effect and related dynamical phenomena MS Li Physics reports 376 (3), 133-223, 2003 | 107 | 2003 |
Thermal denaturation and folding rates of single domain proteins: size matters MS Li, DK Klimov, D Thirumalai Polymer 45 (2), 573-579, 2004 | 103 | 2004 |
Steered molecular dynamics-a promising tool for drug design M Suan Li, B Khanh Mai Current Bioinformatics 7 (4), 342-351, 2012 | 99 | 2012 |
Curcumin Binds to Aβ1–40 Peptides and Fibrils Stronger Than Ibuprofen and Naproxen ST Ngo, MS Li The Journal of Physical Chemistry B 116 (34), 10165-10175, 2012 | 98 | 2012 |
Effect of the Tottori Familial Disease Mutation (D7N) on the Monomers and Dimers of Aβ40 and Aβ42 MH Viet, PH Nguyen, ST Ngo, MS Li, P Derreumaux ACS chemical neuroscience 4 (11), 1446-1457, 2013 | 92 | 2013 |
Absence of reentrance in the two-dimensional XY-model with random phase shift T Nattermann, S Scheidl, SE Korshunov, MS Li Journal de Physique I 5 (5), 565-572, 1995 | 85 | 1995 |
Remdesivir strongly binds to both RNA-dependent RNA polymerase and main protease of SARS-CoV-2: Evidence from molecular simulations HL Nguyen, NQ Thai, DT Truong, MS Li The Journal of Physical Chemistry B 124 (50), 11337-11348, 2020 | 83 | 2020 |
Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach BK Mai, MH Viet, MS Li Journal of chemical information and modeling 50 (12), 2236-2247, 2010 | 82 | 2010 |
Competition of superconductivity and charge density waves in cuprates: Recent evidence and interpretation AM Gabovich, AI Voitenko, T Ekino, MS Li, H Szymczak, M Pękała Advances in Condensed Matter Physics 2010 (1), 681070, 2010 | 82 | 2010 |
Scaling of folding properties in simple models of proteins M Cieplak, TX Hoang, MS Li Physical review letters 83 (8), 1684, 1999 | 76 | 1999 |