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Journal of Molecular Biology|June 7, 2024
Quest for New Generation Biocompatible Materials: Tailoring β-Peptide Structure and Interactions via Synergy of Experiments and ModellingMarie-Isabel Aguilar, Irene YarovskyPhysical Chemistry Chemical Physics : PCCP|October 13, 2010
Effects of mutation on the amyloidogenic propensity of apolipoprotein C-II(60-70) peptideNevena Todorova, Andrew Hung, Simon M Maaser, et al.Plos One|October 13, 2017
Effects of forcefield and sampling method in all-atom simulations of inherently disordered proteins: Application to conformational preferences of human amylinEnxi Peng, Nevena Todorova, Irene YarovskyNano Letters|May 19, 2026
Probing Interactions of Plastic Nanoparticles with Biomolecular Systems via Molecular SimulationsAlexa Kamboukos, Nevena Todorova, Irene YarovskyACS Omega|August 29, 2019
Effects of Size and Functionalization on the Structure and Properties of Graphene Oxide Nanoflakes: An in Silico InvestigationEnxi Peng, Nevena Todorova, Irene YarovskySmall Science|June 18, 2025
Exploring 2D Graphene-Based Nanomaterials for Biomedical Applications: A Theoretical Modeling PerspectiveAlexa Kamboukos, Nevena Todorova, Irene YarovskyThe Journal of Physical Chemistry. B|August 11, 2006
Classical molecular dynamics study of [60]fullerene interactions with silica and polyester surfacesDavid J Henry, Evan Evans, Irene YarovskyThe Journal of Physical Chemistry. A|February 19, 2010
DFT study of H adsorption on magnesium-doped aluminum clustersAdrian Varano, David J Henry, Irene YarovskyThe Journal of Physical Chemistry. A|September 11, 2008
Performance of numerical basis set DFT for aluminum clustersDavid J Henry, Adrian Varano, Irene YarovskyThe Journal of Physical Chemistry. A|May 20, 2011
Role of hydrogen in dimerizaton of aluminum clusters: a theoretical studyAdrian Varano, David J Henry, Irene YarovskyPageof 25