Table 1. Comprehensive Interactions between the Protein and the Hits.

name	hydrogen bond interactions	π–π/π–alkyl interactions	π–sulfur interactions	van der Waals interactions	-CDOCKER interaction energy (kcal/mol)	binding energy (kcal/mol)
lonafarnib	Cys706, Tyr800	Arg702, His748, Trp803		Tyr200, Trp602, Ala651, Met693, Tyr705, Gly750, Tyr751, Cys754, Arg791, Asp797, Cys799, Asp852, Lys853, Tyr861	39.27	–18.51
Hit1	Arg791, Leu795	Lys794, Trp803	Cys754	Lys164, Tyr200, Trp602, Trp606, Tyr654, Tyr705, Gly750, Phe753, Gln789, Gly790, Val796, Tyr800	50.99	–107.47
Hit2	His748, Arg791, Asp797, Tyr800	Tyr800, Trp803	Cys799	Tyr166, Gly750, Gly790, Lys794, Leu795, Val796, Gln789, Asp852, Lys853, Lys856, Tyr861	45.74	–76.91
Hit3	His748, Tyr800	Tyr654, Arg702, Cys754	Trp803	Lys 164, Trp602, Ala651, Met693, Tyr705, Cys706, Gly750, Phe753, Arg791	40.92	–81.14