Sökning: "Coarse-grained molecular dynamic simulation"

Hittade 2 uppsatser innehållade orden Coarse-grained molecular dynamic simulation.

1. 1. Evaluating a coarse-grained IDP-model for structure and dynamics

   Kandidat-uppsats, Lunds universitet/Biofysikalisk kemi

   Författare :Louise Kalander; [2021]
   Nyckelord :IDP; Intrinsically disordered proteins; Histatin 5; Simulation; Biophysical chemistry; Chemistry;

   Sammanfattning : In this study a coarse-grained model of intrinsically disordered proteins (IDPs) is evaluated to determine whether the model is suitable to use for analyzing the structure and dynamics of IDPs. IDPs are proteins that lack a stable tertiary structure which gives them a flexible structure. LÄS MER

3. 2. Using molecular dynamics simulations to study titration behavior of fatty acids

   Master-uppsats, Uppsala universitet/Institutionen för farmaci

   Författare :Christina Autoshi Baidya; [2021]
   Nyckelord :Coarse-grained molecular dynamic simulation; medium chain fatty acid; aggregation;

   Sammanfattning : Medium chain fatty acids (MCFAs) are essential molecules for a wide range of pharmaceutical, biotechnological, and industrial applications. These are naturally occurring saturated or unsaturated fatty acids containing 6-12 carbons with complex and pH sensitive aggregation. LÄS MER