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. 2021 Aug 31;11(9):672. doi: 10.3390/membranes11090672

Table 1.

Ion Channel modeling and simulation studies. The references quoted in the table are readily found as referenced in article [24]. Here the general area of ion channels are organized according to the system type and computational models employed. “Reprinted (adapted) with permission from [24]”.

System Method
(We Quote Here the References, Numbered in ref. [24]. We Avoided to Relist the Huge Amount of References Here.)
Continuum Implicit Solvent MD All-Atom MD Hybrid CG Others (QM)
gramcidins 8–15 16, 17 18–31 52, 53 54
Other membrane porins 55–61 55, 62–64 55, 65–87 55
α-hemolysin 88–93 88, 90, 94, 95 90, 93, 96–99 90, 93, 100–102
K+ channels 103–109 110–117 29, 88, 111–113, 116–197 107, 198–202 203–206 207–211
nAChR 212–220
MscL/MscS 221–228 229, 225 230–257 225, 258 222, 258
Anion channels (VDAC, CIC) 259 260–264 265–268
Aquaporins 269–274
NH4+ transporter 275–278
Other channels 279–310 311–318 299, 312, 319–348 302, 330, 337, 349–356 357, 358
Synthetic nanopores 359–370 371–374 375–391 350, 382, 383, 392 393 394