Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design

• Váldodahkkit: Tomasz Róg (Dahkki), Mykhailo Girych (Dahkki), Alex Bunker (Dahkki)
• Materiálatiipa: Girji
• Almmustuhtton: MDPI AG, 2021-10-01T00:00:00Z.
• Fáttát: article
• Liŋkkat: Connect to this object online.

We review the use of molecular dynamics (MD) simulation as a drug design tool in the context of the role that the lipid membrane can play in drug action, i.e., the interaction between candidate drug molecules and lipid membranes. In the standard "lock and key" paradigm, only the interactio...