Structure of the His44 → Ala Single Point Mutant of the Distal Finger Motif of HIV-1 Nucleocapsid Protein:  A Combined NMR, Molecular Dynamics Simulation, and Fluorescence Study†

Biochemistry ◽  
2004 ◽  
Vol 43 (24) ◽  
pp. 7687-7697 ◽  
Author(s):  
Roland H. Stote ◽  
Esther Kellenberger ◽  
Hervé Muller ◽  
Elisa Bombarda ◽  
Bernard P. Roques ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Nucleocapsid Protein ◽  
Single Point ◽  
Protein A ◽  
Dynamics Simulation ◽  
Fluorescence Study ◽  
Point Mutant ◽  
Hiv 1

Molecular Dynamics simulation of organic materials: Structure, potentials and the MiCMoS computer platform

CrystEngComm ◽  
2022 ◽  
Author(s):  
Angelo Gavezzotti ◽  
Leonardo Lo Presti ◽  
Silvia Rizzato
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Structure Determination ◽  
Organic Materials ◽  
Single Point ◽  
Lattice Energy ◽  
Dynamics Simulation ◽  
Organic Crystals ◽  
X Ray ◽  
Point Lattice

The science of organic crystals and materials has seen in a few decades a spectacular improvement from months to minutes for an X-ray structure determination and from single-point lattice energy...

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