Abstract
Abbreviations | ||
ADME | = | absorption, distribution, metabolism, and excretion |
MMGB/SA | = | molecular mechanics generalized born surface area |
IFD | = | induced fit docking |
RTK | = | receptor tyrosine kinase |
NSCLC | = | non-small-cell lung cancer |
ATP | = | adenosine triphosphate |
OPLS | = | optimized potential for liquid stimulation |
RMSD | = | root mean square deviation |
HTVS | = | high-throughput virtual screening |
SP | = | standard precision |
XP | = | extra precision |
OPLS-AA | = | optimized potential for liquid stimulation-all atom |
MD | = | molecular simulation |
MME | = | molecular mechanics energies |
SGB | = | surface generalized born |
POPC membrane | = | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine membrane |
PDB | = | Protein Data Bank |
DDR1 | = | discoidin domain receptor 1 |
DDR2 | = | discoidin domain receptor 2 |
DDRs | = | discoidin domain receptors |
ECM | = | extracellular matrix |
TIP4P | = | transferable intermolecular potential 4 point |
NPT | = | constant particle number, pressure and temperature |
RMSF | = | root mean square fluctuation |
Communicated by Ramaswamy H. Sarma
Acknowledgement
We acknowledge the DST-SERB grant sanctioned No:F. EEQ/2018/001057 and RUSA-Phase 2.0 grant sanctioned No:F.24-51/2014-U, Policy (TNmulti-Gen), Dept. of Edn, Govt. of India, Dt.09.10.2018. We thank Prabhu D for his technical assistance.
Disclosure statement
No potential conflict of interest was reported by the authors.