[HTML][HTML] Self-assembling peptides: Perspectives regarding biotechnological applications and vaccine development

C Reyes, MA Patarroyo - International Journal of Biological …, 2024 - Elsevier
Self-assembly involves a set of molecules spontaneously interacting in a highly coordinated
and dynamic manner to form a specific supramolecular structure having new and clearly …

Exploring How System Dimensions and Periodic Boundary Conditions Influence the Molecular Dynamics Simulation of A6H Peptide Self-Assembly Nanostructures

K Mendanha, G Colherinhas - The Journal of Physical Chemistry …, 2024 - ACS Publications
This work presents a study on the effects of periodic boundary conditions (PBC) on the
energetic/structural properties and hydrogen bond dynamics (HB) using molecular dynamics …

Investigating the Co-loading of Doxorubicin and Melittin on Polyethylene Glycol at Different Molar Ratios Using Molecular Dynamics Simulation

M Minaeian, FS Miraskarshahi, A Kordzadeh - 2024 - researchsquare.com
The co-loading of melittin (MLT) and doxorubicin (DOX) on polyethylene glycol (PEG) at
different molar ratios was investigated with molecular dynamics (MD) simulation. The …