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- W4366281572 endingPage "135604" @default.
- W4366281572 startingPage "135604" @default.
- W4366281572 abstract "Molecular modeling techniques are used to describe the process of interaction between nanotubes and the main structures of the Covid-19 virus: the envelope protein, the main protease, and the Spike glycoprotein. Molecular docking studies show that the ligands have interaction characteristics capable of adsorbing the structures. Molecular dynamics simulations provide information on the mean squared deviation of atomic positions between 0.5 and 3.0 Å. The Gibbs free energy model and solvent accessible surface area approaches are used. Through the results obtained through molecular dynamics simulations, it is noted that the zig-zag nanotube prefers to interact with E-pro, M-pro, and S-gly, respectively. Molecular couplings and free energy showed that the S-gly active site residues strongly interact with zigzag, chiral, and armchair nanotubes, in this order. The interactions demonstrated in this manuscript may predict some promising candidates for virus antagonists, which may be confirmed through experimental approaches." @default.
- W4366281572 created "2023-04-20" @default.
- W4366281572 creator A5023653620 @default.
- W4366281572 creator A5025981395 @default.
- W4366281572 creator A5035312718 @default.
- W4366281572 creator A5057096645 @default.
- W4366281572 creator A5057767121 @default.
- W4366281572 creator A5064165671 @default.
- W4366281572 date "2023-08-01" @default.
- W4366281572 modified "2023-09-27" @default.
- W4366281572 title "Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics" @default.
- W4366281572 cites W1031578623 @default.
- W4366281572 cites W1547678669 @default.
- W4366281572 cites W1578820077 @default.
- W4366281572 cites W1678777510 @default.
- W4366281572 cites W195310058 @default.
- W4366281572 cites W1976161355 @default.
- W4366281572 cites W1982193100 @default.
- W4366281572 cites W1995808589 @default.
- W4366281572 cites W2002506550 @default.
- W4366281572 cites W2009356149 @default.
- W4366281572 cites W2010955572 @default.
- W4366281572 cites W2018928802 @default.
- W4366281572 cites W2019953465 @default.
- W4366281572 cites W2023791237 @default.
- W4366281572 cites W2026747071 @default.
- W4366281572 cites W2028342905 @default.
- W4366281572 cites W2030589493 @default.
- W4366281572 cites W2032576830 @default.
- W4366281572 cites W2044748199 @default.
- W4366281572 cites W2047525279 @default.
- W4366281572 cites W2056262153 @default.
- W4366281572 cites W2056410022 @default.
- W4366281572 cites W2065838297 @default.
- W4366281572 cites W2073909164 @default.
- W4366281572 cites W2075075492 @default.
- W4366281572 cites W2078082523 @default.
- W4366281572 cites W2084473663 @default.
- W4366281572 cites W2088226047 @default.
- W4366281572 cites W2089463116 @default.
- W4366281572 cites W2091277773 @default.
- W4366281572 cites W2094887037 @default.
- W4366281572 cites W2095344091 @default.
- W4366281572 cites W2095719702 @default.
- W4366281572 cites W2098341010 @default.
- W4366281572 cites W2103768828 @default.
- W4366281572 cites W2104249079 @default.
- W4366281572 cites W2108001390 @default.
- W4366281572 cites W2111376288 @default.
- W4366281572 cites W2118233996 @default.
- W4366281572 cites W2123338024 @default.
- W4366281572 cites W2133391229 @default.
- W4366281572 cites W2134967712 @default.
- W4366281572 cites W2138428153 @default.
- W4366281572 cites W2153095586 @default.
- W4366281572 cites W2337033486 @default.
- W4366281572 cites W2592847458 @default.
- W4366281572 cites W2606184670 @default.
- W4366281572 cites W2806999904 @default.
- W4366281572 cites W2809196486 @default.
- W4366281572 cites W2903438179 @default.
- W4366281572 cites W2920137952 @default.
- W4366281572 cites W2947422641 @default.
- W4366281572 cites W2963932066 @default.
- W4366281572 cites W2985346127 @default.
- W4366281572 cites W3004735879 @default.
- W4366281572 cites W3014067025 @default.
- W4366281572 cites W3015369767 @default.
- W4366281572 cites W3016704917 @default.
- W4366281572 cites W3022811568 @default.
- W4366281572 cites W3024403307 @default.
- W4366281572 cites W3024964563 @default.
- W4366281572 cites W3034225747 @default.
- W4366281572 cites W3036533652 @default.
- W4366281572 cites W3044118599 @default.
- W4366281572 cites W3044768467 @default.
- W4366281572 cites W3044897924 @default.
- W4366281572 cites W3083202196 @default.
- W4366281572 cites W3087576173 @default.
- W4366281572 cites W3097267873 @default.
- W4366281572 cites W3101346069 @default.
- W4366281572 cites W3102773327 @default.
- W4366281572 cites W3109760714 @default.
- W4366281572 cites W3112256708 @default.
- W4366281572 cites W3114679708 @default.
- W4366281572 cites W3120545115 @default.
- W4366281572 cites W3120625224 @default.
- W4366281572 cites W3127783874 @default.
- W4366281572 cites W3127958871 @default.
- W4366281572 cites W3128087140 @default.
- W4366281572 cites W3128297982 @default.
- W4366281572 cites W3134037648 @default.
- W4366281572 cites W3134338575 @default.
- W4366281572 cites W3165186393 @default.
- W4366281572 cites W3184560454 @default.
- W4366281572 cites W3198697238 @default.
- W4366281572 cites W3206781243 @default.
- W4366281572 cites W3215894733 @default.