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The Journal of Physical Chemistry. B|January 8, 2014
Modeling of peptaibol analogues incorporating nonpolar α,α-dialkyl glycines shows improved α-helical preorganization and spontaneous membrane permeationTarsila G Castro, Nuno M MicaêloThe Journal of Physical Chemistry. B|August 6, 2014
Conformational and thermodynamic properties of non-canonical α,α-dialkyl glycines in the peptaibol Alamethicin: molecular dynamics studiesTarsila G Castro, Nuno M MicaêloChempluschem|August 5, 2025
Artificial Intelligence, Molecular Dynamics, and Beyond: Computational Insights In Cosmetics Research and Formulation DesignTiago Ferreira, Artur Cavaco-Paulo, Tarsila G CastroBiomolecules|March 27, 2019
Electrostatics of Tau Protein by Molecular DynamicsTarsila G Castro, Florentina-Daniela Munteanu, Artur Cavaco-PauloJournal of Molecular Modeling|October 17, 2017
Modeling the secondary structures of the peptaibols antiamoebin I and zervamicin II modified with D-amino acids and proline analoguesTarsila G Castro, Nuno M Micaêlo, Manuel Melle-FrancoPolymers|April 13, 2023
Synthesis of Novel 2,9-Disubstituted-6-morpholino Purine Derivatives Assisted by Virtual Screening and Modelling of Class I PI3K IsoformsVítor Lobo, Ashly Rocha, Tarsila G Castro, et al.Biomolecules|January 27, 2021
The Structural Properties of Odorants Modulate Their Association to Human Odorant Binding ProteinTarsila G Castro, Carla Silva, Teresa Matamá, et al.Journal of Biomolecular Structure & Dynamics|May 9, 2023
Golgi α-mannosidase: opposing structures of <i>Drosophila melanogaster</i> and novel human model using molecular dynamics simulations and docking at different pHsArtem Drogalin, Luís S Monteiro, Maria José Alves, et al.Physical Chemistry Chemical Physics : PCCP|November 26, 2021
From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNAÁngel Sánchez-González, Tarsila G Castro, Manuel Melle-Franco, et al.Polymers|February 28, 2023
Addressing the Structural Organization of Silicone Alternatives in Formulations by Molecular Dynamics Simulations and a Novel Equilibration ProtocolTiago Ferreira, Ana Loureiro, Jennifer Noro, et al.Pageof 2