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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.