| Novel 2019 Coronavirus Structure, Mechanism of Action, Antiviral drug promises and rule out against its treatment S Boopathi, AB Poma, P Kolandaivel Journal of Biomolecular Structure and Dynamics, 2020 | 660 | 2020 |
| Combining the MARTINI and structure-based coarse-grained approaches for the molecular dynamics studies of conformational transitions in proteins AB Poma, M Cieplak, PE Theodorakis Journal of Chemical Theory and Computation 13 (3), 1366-1374, 2017 | 161 | 2017 |
| Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling AB Poma, L Delle Site Physical review letters 104 (25), 250201, 2010 | 88 | 2010 |
| Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants M Koehler, A Ray, RA Moreira, B Juniku, AB Poma, D Alsteens Nature communications 12 (1), 6977, 2021 | 62 | 2021 |
| Characterization of structural and energetic differences between conformations of the SARS-CoV-2 spike protein RA Moreira, HV Guzman, S Boopathi, JL Baker, AB Poma Materials 13 (23), 5362, 2020 | 59 | 2020 |
| Quantitative determination of mechanical stability in the novel coronavirus spike protein RA Moreira, M Chwastyk, JL Baker, HV Guzman, AB Poma Nanoscale 12, 16409-16413, 2020 | 56 | 2020 |
| Polysaccharide–protein complexes in a coarse-grained model AB Poma, M Chwastyk, M Cieplak The Journal of Physical Chemistry B 119 (36), 12028-12041, 2015 | 42 | 2015 |
| Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling AB Poma, L Delle Site Physical Chemistry Chemical Physics 13 (22), 10510-10519, 2011 | 41 | 2011 |
| Coarse-grained model of the native cellulose and the transformation pathways to the allomorph AB Poma, M Chwastyk, M Cieplak Cellulose 23 (3), 1573-1591, 2016 | 36 | 2016 |
| Optimizing Gō-MARTINI coarse-grained model for F-BAR protein on lipid membrane MI Mahmood, AB Poma, K Okazaki Frontiers in molecular biosciences 8, 619381, 2021 | 30 | 2021 |
| Elastic moduli of biological fibers in a coarse-grained model: Crystalline cellulose and β-amyloids AB Poma, M Chwastyk, M Cieplak Physical Chemistry Chemical Physics 19 (41), 28195-28206, 2017 | 29 | 2017 |
| Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies AB Poma, HV Guzman, MS Li, PE Theodorakis Beilstein journal of nanotechnology 10 (1), 500-513, 2019 | 27 | 2019 |
| Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach M Martínez, CD Cooper, AB Poma, HV Guzman Journal of chemical information and modeling 60 (2), 974-981, 2019 | 26 | 2019 |
| Differentiating between inactive and active states of rhodopsin by atomic force microscopy in native membranes S Senapati, AB Poma, M Cieplak, S Filipek, PSH Park Analytical chemistry 91 (11), 7226-7235, 2019 | 25 | 2019 |
| Generalization of the elastic network model for the study of large conformational changes in biomolecules AB Poma, MS Li, PE Theodorakis Physical Chemistry Chemical Physics 20 (25), 17020-17028, 2018 | 24 | 2018 |
| Statistical radii associated with amino acids to determine the contact map: fixing the structure of a type I cohesin domain in the Clostridium thermocellum cellulosome M Chwastyk, A Poma Bernaola, M Cieplak Physical Biology Volume 12 Number 4, 2015 | 22 | 2015 |
| Mapping mechanostable pulling geometries of a therapeutic anticalin/CTLA-4 protein complex Z Liu, RA Moreira, A Dujmović, H Liu, B Yang, AB Poma, MA Nash Nano letters 22 (1), 179-187, 2021 | 21 | 2021 |
| An overview of several inhibitors for Alzheimer’s disease: characterization and failure S Boopathi, AB Poma, R Garduño-Juárez International Journal of Molecular Sciences 22 (19), 10798, 2021 | 15 | 2021 |
| Nanomechanical stability of Aβ tetramers and fibril-like structures: molecular dynamics simulations AB Poma, TTM Thu, LTM Tri, HL Nguyen, MS Li The Journal of Physical Chemistry B 125 (28), 7628-7637, 2021 | 11 | 2021 |
| Martini 3 Model of cellulose microfibrils: on the route to capture large conformational changes of polysaccharides RA Moreira, SAL Weber, AB Poma Molecules 27 (3), 976, 2022 | 8 | 2022 |
Rodrigo A. MoreiraBasque Center for Applied Mathematics確認したメール アドレス: bcamath.org
