Platform>LNP AIMD

LNP AIMD

From The Mind Come Drugs of the Future

STEP 01

Building the Components of LNP

  • 1

    Building force field topology of lipid

  • 2

    Aligning lipids along the Z-axis and creating a more compact structure

STEP 02

Building the Membrane

  • 1

    Generating bilayer by placing the compact representations of the lipids on a square grid

STEP 03

Equilibrating a Membrane

  • 1

    Inserting water molecules and counter ions into the simulation cell

  • 2

    To release some strain from the highly ordered lipids, minimization and equilibrations are conducted at 310 Kelvin with position-restraining potentials

STEP 04

Molecular Dynamics Simulation

  • 1

    Molecular dynamics simulation for LNP in biosimilar environment

STEP 05

Automated Post-MD Analysis

  • 1

    Analyzing surface area per lipid of LNP

  • 2

    Analyzing thermostability of LNP

  • 3

    Analyzing mass density of the lipids along the membrane