Long-Term Molecular Dynamics Simulations Reveal Flexibility Properties of a Free and TCR-Bound pMHC-I System

2020 ◽  
Author(s):  
Lisa Tomasiak ◽  
Rudolf Karch ◽  
Wolfgang Schreiner
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Structural impact analysis of missense SNPs present in the uroguanylin gene by long-term molecular dynamics simulations

2016 ◽  
Vol 410 ◽  
pp. 9-17 ◽  
Author(s):  
Antonio C.S. Marcolino ◽  
William F. Porto ◽  
Állan S. Pires ◽  
Octavio L. Franco ◽  
Sérgio A. Alencar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Impact Analysis ◽  
Structural Impact ◽  
Dynamics Simulations

scholarly journals From nanoaggregates to mesoscale ribbons: the multistep self-organization of amphiphilic peptides

2021 ◽  
Author(s):  
Grazia Maria Laura Messina ◽  
Claudia Mazzuca ◽  
Monica Dettin ◽  
Annj Zamuner ◽  
Benedetta Di Napoli ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Molecular Dynamics Simulations ◽  
Organization Structure ◽  
Self Organization ◽  
Force Microscopy ◽  
Amphiphilic Peptides ◽  
Atomic Force ◽  
Dynamics Simulations

The paper reports Atomic Force Microscopy results and Molecular Dynamics simulations on the striking differences of long-term self-organization structure for the negatively charged (AcA4)2KD (“double tail”) and AcA4D (“single tail”)...

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