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. 2019 Sep 23;20(19):4721. doi: 10.3390/ijms20194721
3D Three Dimensional
∆Gbind Binding energy
AMBER Assisted Model Building with Energy Refinement
CADD Computer Aided Drug Design
CD95 Cluster of differentiation 95
CID Calcium inducing domain
COM_dist Center of Mass of the Bound Ligand and AsnA844 of PLCγ1
GAFF General Amber Force Field
H-bond Hydrogen-bond
HTVS: High-throughput virtual screening
IFD Induced fit docking
IP3 Inositol 1,4,5-triphosphate
MD Molecular dynamics
MM/GBSA Molecular Mechanics-Generalized Born Surface Area
PDB Protein Data bank
PIP2 Phosphatidylinositol 4,5-bisphosphate
PLCγ1 Phospholipase C gamma 1
PLCγ1-SH3 SH3 domain of PLCγ1
PME Particle-Mesh Ewald
RMSD Root mean square deviation
SP Standard Precision
TIP3P Three-site Transferrable Intermolecular Potential
VMD Visual Molecular Dynamics software
XP eXtra Precision