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Poma A.B., Chwastyk M., Cieplak M., Elastic moduli of biological fibers in a coarse-grained model: crystalline cellulose and β-amyloids,
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, 28195-28206, 2017 |  |
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Poma A.B., Chwastyk M., Cieplak M., Coarse-grained model of the native cellulose and the transformation pathways to the allomorph,
CELLULOSE, 23, 1573-1591, 2016 | |
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Poma A.B., Chwastyk M., Cieplak M., Polysaccharide–protein complexes in a Coarse-Grained Model,
JOURNAL OF PHYSICAL CHEMISTRY B, 119, 12028-12041, 2015 | |
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Poma A.B., Cieplak M., Theodorakis P.E., Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins,
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13, 1366-1374, 2017 | |
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Poma A.B., Li M.S., Theodorakis P.E., Generalization of the elastic network model for the study of large conformational changes in biomolecules,
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 20, 17020-17028, 2018 |  |
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Poma A.B., Site L.D., Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling,
PHYSICAL REVIEW LETTERS, 104, 250201-1-4, 2011 | |
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Poma A.B., Site L.D., Adaptive resolution simulation of liquid para-hydrogen: Testing the robustness of the quantum-classical adaptive coupling,
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13, 10510-10519, 2011 | |
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Poma A.B., Site L.D., Separation of variables in molecular-dynamics simulations: A criterion to estimate the quality of the approximation,
PHYSICAL REVIEW E, 78, 056703-1-11, 2008 | |
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Poma A.B., Theodorakis P.E., Generalization of the Elastic Network Model for the Study of Large Conformational Changes in Proteins,
BPS2018, 62ND ANNUAL MEETING OF THE BIOPHYSICAL SOCIETY, 2018-02-17/02-21, SAN FRANCISCO (US), 114, 46A-, 2018 | |
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Poma A.B., Tran T.M.T., Lam T.M.T., Hoang N.L., Mai L.S., Nanomechanical stability of Aβ tetramers and fibril-like structures: molecular dynamics simulations,
JOURNAL OF PHYSICAL CHEMISTRY B, 125, 28, 7628-7637, 2021 | |
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Poma Bernaola A., Boosting plastic degradation by a novel enzymatic paradigm,
EUROPEAN SUMMIT OF INDUSTRIAL BIOTECHNOLOGY (ESIB), 2019-11-18/11-20, GRAZ (AT), 48-, 2019 | |
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Poma Bernaola A., Filipek S., Park P.H., Nanomechanical Differences between Inactive and Active States of Rhodopsin from Molecular-Scale Simulation,
64TH ANNUAL MEETING OF THE BIOPHYSICAL SOCIETY, 2020-02-15/02-19, SAN DIEGO, CALIFORNIA (US), 2456-Pos-502a-502a, 2020 | |
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Poma Bernaola A., Guzman V.H., Li M.S., Theodorakis P.E., Mechanical and thermodynamic properties of Aβ42, Aβ40 and α-synuclein fibrils from molecular-scale simulation,
APS MARCH MEETING 2019, AMERICAN PHYSICAL SOCIETY MARCH MEETING, 2019-03-04/03-08, BOSTON (US), 2174-, 2019 | |
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Poma Bernaola A., Guzman V.H., Li M.S., Theodorakis P.E., Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies,
BEILSTEIN JOURNAL OF NANOTECHNOLOGY, 10, 500-513, 2019 | |
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Poma Bernaola A., Moreira R., Liu Z., Nash M., Optimisation of the mechanical stability of anticalin:CTLA-4 protein complex via GoMARTINI simulations,
HÜNFELD 2021: WORKSHOP ON COMPUTER SIMULATION AND THEORY OF MACROMOLECULES, 2021-04-23/04-24, VIRTUAL MEETING (DE), 110-, 2021 | |
