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. 2020 Oct 20;25(20):4829. doi: 10.3390/molecules25204829
CXCL12 C-X-C motif chemokine 12
CXCR4 C-X-C chemokine receptor type 4
SDF-1 Stromal Derived Factor-1
JNK Janus kinase
MAPK Mitogen Activated Protein Kinase
RMSD Root Mean Square Deviation
RMSF Root Mean Square Fluctuation
Rg Radius of gyration
VS Virtual Screening
ERK Extracellular Signal-Regulated Kinase
AKT Protein kinase B
MMFF94 Merck Molecular Force Field 94
PLIF Protein Ligand Profiling Fingerprinting
NVT Constant Number of particles, Volume and Temperature
NPT Number of Particles, Pressure and Temperature
LINCS Linear Constrain Solver
PME Particle Mesh Ewald