Bridging microscopic and macroscopic mechanisms of p53-MDM2 binding with kinetic network models G Zhou, GA Pantelopulos, S Mukherjee, VA Voelz Biophysical journal 113 (4), 785-793, 2017 | 91 | 2017 |
Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures GA Pantelopulos, T Nagai, A Bandara, A Panahi, JE Straub The Journal of Chemical Physics 147 (9), 2017 | 55 | 2017 |
Regimes of complex lipid bilayer phases induced by cholesterol concentration in MD simulation GA Pantelopulos, JE Straub Biophysical journal 115 (11), 2167-2178, 2018 | 47 | 2018 |
Structure of APP-C99 1–99 and implications for role of extra-membrane domains in function and oligomerization GA Pantelopulos, JE Straub, D Thirumalai, Y Sugita Biochimica et Biophysica Acta (BBA) - Biomembranes, 2018 | 45 | 2018 |
Specific binding of cholesterol to C99 domain of amyloid precursor protein depends critically on charge state of protein A Panahi, A Bandara, GA Pantelopulos, L Dominguez, JE Straub The journal of physical chemistry letters 7 (18), 3535-3541, 2016 | 41 | 2016 |
Bicelles rich in both sphingolipids and cholesterol and their use in studies of membrane proteins JM Hutchison, KC Shih, HA Scheidt, SM Fantin, KF Parson, ... Journal of the American Chemical Society 142 (29), 12715-12729, 2020 | 37 | 2020 |
Direct observation of cholesterol dimers and tetramers in lipid bilayers MR Elkins, A Bandara, GA Pantelopulos, JE Straub, M Hong The Journal of Physical Chemistry B 125 (7), 1825-1837, 2021 | 36 | 2021 |
Microsecond simulations of mdm2 and its complex with p53 yield insight into force field accuracy and conformational dynamics GA Pantelopulos, S Mukherjee, VA Voelz Proteins: Structure, Function, and Bioinformatics 83 (9), 1665-1676, 2015 | 32 | 2015 |
Aerosol-OT surfactant forms stable reverse micelles in apolar solvent in the absence of water R Urano, GA Pantelopulos, JE Straub The Journal of Physical Chemistry B 123 (11), 2546-2557, 2019 | 29 | 2019 |
Exploring the structure and stability of cholesterol dimer formation in multicomponent lipid bilayers A Bandara, A Panahi, GA Pantelopulos, JE Straub Journal of computational chemistry 38 (16), 1479-1488, 2017 | 28 | 2017 |
Markov models of the apo-MDM2 lid region reveal diffuse yet two-state binding dynamics and receptor poses for computational docking S Mukherjee, GA Pantelopulos, VA Voelz Scientific Reports 6, 31631, 2016 | 25 | 2016 |
Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture A Bandara, A Panahi, GA Pantelopulos, T Nagai, JE Straub The Journal of chemical physics 150 (20), 2019 | 17 | 2019 |
Finite-size effects and optimal system sizes in simulations of surfactant micelle self-assembly JJ Harris, GA Pantelopulos, JE Straub The Journal of Physical Chemistry B 125 (19), 5068-5077, 2021 | 15 | 2021 |
Impact of cholesterol concentration and lipid phase on structure and fluctuation of amyloid precursor protein GA Pantelopulos, A Panahi, JE Straub The Journal of Physical Chemistry B 124 (45), 10173-10185, 2020 | 12 | 2020 |
Characterization of dynamics and mechanism in the self-assembly of AOT reverse micelles R Urano, GA Pantelopulos, S Song, JE Straub The Journal of Chemical Physics 149 (14), 2018 | 9 | 2018 |
Efficient calculation of the free energy for protein partitioning using restraining potentials S Kwon, GA Pantelopulos, JE Straub Biophysical Journal 122 (11), 1914-1925, 2023 | 8 | 2023 |
On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics T Nagai, GA Pantelopulos, T Takahashi, JE Straub Journal of Computational Chemistry 37 (21), 2017-2028, 2016 | 6 | 2016 |
Formation of extramembrane β-strands controls dimerization of transmembrane helices in amyloid precursor protein C99 GA Pantelopulos, D Matsuoka, JM Hutchison, CR Sanders, Y Sugita, ... Proceedings of the National Academy of Sciences 119 (52), e2212207119, 2022 | 3 | 2022 |
Cholesterol and Lipid Rafts in the Biogenesis of Amyloid-β Protein and Alzheimer's Disease GA Pantelopulos, CB Abraham, JE Straub Annual Review of Biophysics 53, 2024 | 1 | 2024 |
Characterizing the transmembrane domains of ADAM10 and BACE1 and the impact of membrane composition CB Abraham, L Xu, GA Pantelopulos, JE Straub Biophysical Journal 122 (19), 3999-4010, 2023 | 1 | 2023 |