| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5177 | 2021 |
| A fast and high-quality charge model for the next generation general AMBER force field X He, VH Man, W Yang, TS Lee, J Wang The Journal of Chemical Physics 153 (11), 2020 | 234 | 2020 |
| 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 | 205 | 2011 |
| High-resolution structures of the amyloid-β 1–42 dimers from the comparison of four atomistic force fields VH Man, PH Nguyen, P Derreumaux The Journal of Physical Chemistry B 121 (24), 5977-5987, 2017 | 124 | 2017 |
| Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of Aβ16–22 Dimer VH Man, X He, P Derreumaux, B Ji, XQ Xie, PH Nguyen, J Wang Journal of chemical theory and computation 15 (2), 1440-1452, 2019 | 104 | 2019 |
| Fast, accurate, and reliable protocols for routine calculations of protein–ligand binding affinities in drug design projects using AMBER GPU-TI with ff14SB/GAFF X He, S Liu, TS Lee, B Ji, VH Man, DM York, J Wang ACS omega 5 (9), 4611-4619, 2020 | 95 | 2020 |
| 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 | 93 | 2013 |
| AMBER 2019 http://ambermd.org/doc12/Amber19.pdf, 2019 | 86* | 2019 |
| 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 |
| Effects of water models on binding affinity: evidence from all-atom simulation of binding of tamiflu to A/H5N1 neuraminidase TT Nguyen, MH Viet, MS Li The Scientific World Journal 2014, 2014 | 64 | 2014 |
| Effect of the English familial disease mutation (H6R) on the monomers and dimers of Aβ40 and Aβ42 MH Viet, PH Nguyen, P Derreumaux, MS Li ACS chemical neuroscience 5 (8), 646-657, 2014 | 56 | 2014 |
| Effect of Taiwan mutation (D7H) on structures of amyloid-β peptides: replica exchange molecular dynamics study PM Truong, MH Viet, PH Nguyen, CK Hu, MS Li The Journal of Physical Chemistry B 118 (30), 8972-8981, 2014 | 48 | 2014 |
| Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study M Hoang Viet, P Derreumaux, MS Li, C Roland, C Sagui, PH Nguyen The Journal of Chemical Physics 143 (15), 2015 | 46 | 2015 |
| Amyloid peptide Aβ40 inhibits aggregation of Aβ42: Evidence from molecular dynamics simulations MH Viet, MS Li The Journal of Chemical Physics 136 (24), 2012 | 46 | 2012 |
| Discovery of dihydrochalcone as potential lead for Alzheimer’s disease: in silico and in vitro study MH Viet, CY Chen, CK Hu, YR Chen, MS Li PloS one 8 (11), e79151, 2013 | 44 | 2013 |
| Prediction of the binding affinities and selectivity for CB1 and CB2 ligands using homology modeling, molecular docking, molecular dynamics simulations, and MM-PBSA binding … B Ji, S Liu, X He, VH Man, XQ Xie, J Wang ACS Chemical Neuroscience 11 (8), 1139-1158, 2020 | 38 | 2020 |
| In Silico and in Vitro Study of Binding Affinity of Tripeptides to Amyloid β Fibrils: Implications for Alzheimer’s Disease MH Viet, K Siposova, Z Bednarikova, A Antosova, TT Nguyen, Z Gazova, ... The Journal of Physical Chemistry B 119 (16), 5145-5155, 2015 | 38 | 2015 |
| Molecular mechanism of the cell membrane pore formation induced by bubble stable cavitation VH Man, PM Truong, MS Li, J Wang, NT Van-Oanh, P Derreumaux, ... The Journal of Physical Chemistry B 123 (1), 71-78, 2018 | 35 | 2018 |
| Tau R3–R4 domain dimer of the wild type and phosphorylated ser356 sequences. I. In solution by atomistic simulations P Derreumaux, VH Man, J Wang, PH Nguyen The Journal of Physical Chemistry B 124 (15), 2975-2983, 2020 | 33 | 2020 |
| Conformational ensembles of the wild-type and S8C Aβ1–42 dimers VH Man, PH Nguyen, P Derreumaux The Journal of Physical Chemistry B 121 (11), 2434-2442, 2017 | 33 | 2017 |
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of PittsburghVerified email at pitt.edu
