Engineering Center of Catalysis and Synthesis for Chiral Molecules;
Department of Chemistry;
Fudan University;
Shanghai 200433;
China;
Shanghai Engineering Center of Industrial Asymmetric Catalysis for Chiral Drugs;
Shanghai 200433;
China;
Rega Institute for Medical Research;
KU Leuven;
Leuven B-3000;
Belgium;
HIV-1; NNRTIs; NP-DATAs; BP-DATAs; Positional; adaptability; Molecular; modeling;