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Lista de obras de Adolfo Poma Bernaola

Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling.

artículo científico publicado en 2011

Characterization of Structural and Energetic Differences between Conformations of the SARS-CoV-2 Spike Protein

scientific article published on 26 November 2020

Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling.

artículo científico publicado en 2010

Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins.

artículo científico publicado en 2017

Differentiating between Inactive and Active States of Rhodopsin by Atomic Force Microscopy in Native Membranes

scientific article published on 16 May 2019

Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach

scientific article published on 09 January 2020

Mapping Mechanostable Pulling Geometries of a Therapeutic Anticalin/CTLA-4 Protein Complex

artículo científico publicado en 2021

Mechanical and thermodynamic properties of Aβ, Aβ, and α-synuclein fibrils: a coarse-grained method to complement experimental studies

artículo científico publicado en 2019

Nanomechanical Stability of Aβ Tetramers and Fibril-like Structures: Molecular Dynamics Simulations

artículo científico publicado en 2021

Novel 2019 Coronavirus Structure, Mechanism of Action, Antiviral drug promises and rule out against its treatment

scientific article published on 20 April 2020

Polysaccharide-Protein Complexes in a Coarse-Grained Model

scientific article published on 26 August 2015

Quantitative determination of mechanical stability in the novel coronavirus spike protein

artículo científico publicado en 2020

Separation of variables in molecular-dynamics simulations: a criterion to estimate the quality of the approximation

artículo científico publicado en 2008

The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6

artículo científico publicado en 2012

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