[1] |
|
[2] |
Lyulin S V, Gurtovenko A A, Larin S V, Nazarychev V M, Lyulin A V 2013 Macromolecules 46 6357 DOI: 10.1021/ma4011632
|
[3] |
|
[4] |
|
[5] |
Schubert E, Sander J, Ester M, Kriegel H P, Xu X 2017 ACM Trans. Database Syst. 42 19 DOI: 10.1145/3068335
|
[6] |
|
[7] |
|
[8] |
|
[9] |
|
[10] |
|
[11] |
|
[12] |
|
[13] |
|
[14] |
|
[15] |
|
[16] |
|
[17] |
|
[18] |
|
[19] |
|
[20] |
|
[21] |
Shao J Y, Tanner S W, Thompson N, Cheatham T E 2007 J. Chem. Theory. Comput. 3 2312 DOI: 10.1021/ct700119m
|
[22] |
|
[23] |
|
[24] |
|
[25] |
Noe F, Horenko I, Schutte C, Smith J C 2007 J. Chem. Phys. 126 155102 DOI: 10.1063/1.2714539
|
[26] |
Chodera J D, Singhal N, Pande V S, Dill K A, Swope W C 2007 J. Chem. Phys. 126 155101 DOI: 10.1063/1.2714538
|
[27] |
|
[28] |
|
[29] |
Weber J K, Jack R L, Pande V S 2013 J. Am. Chem. Soc. 135 5501 DOI: 10.1021/ja4002663
|
[30] |
|
[31] |
|
[32] |
|
[33] |
Nuske F, Keller B G, Perez-Hernandez G, Mey A S J S, Noe F 2014 J. Chem. Theory. Comput. 10 1739 DOI: 10.1021/ct4009156
|
[34] |
|
[35] |
|
[36] |
|
[37] |
|
[38] |
|
[39] |
|
[40] |
|
[41] |
|
[42] |
Bipasha B, Lin J C, Williams V D, Kummler P, Neidigh J W, Andersen N H 2008 Protein Eng. Des. Sel. 21 171 DOI: 10.1093/protein/gzm082
|
[43] |
|
[44] |
|
[45] |
Spiwok V, Oborsky P, Pazurikova J, Krenek A, Kralova B 2015 J. Chem. Phys. 142 115101 DOI: 10.1063/1.4914828
|
[46] |
Kim S B, Dsilva C J, Kevrekidis I G, Debenedetti P G 2015 J. Chem. Phys. 142 085101 DOI: 10.1063/1.4913322
|
[47] |
|
[48] |
Zang T W, Yu L L, Zhang C, Ma J P 2014 J. Chem. Phys. 141 044113 DOI: 10.1063/1.4890038
|
[49] |
|
[50] |
Huang X H, Hagen M, Kim B, Friesner R A, Zhou R H, Berne B J 2007 J. Phys. Chem. B 111 5405 DOI: 10.1021/jp068826w
|
[51] |
|
[52] |
Hornak V, Abel R, Okur A, Strockbine B, Roitberg A, Simmerling C 2006 Proteins 65 712 DOI: 10.1002/prot.21123
|
[53] |
Lai Z Z, Preketes N K, Mukamel S, Wang J 2013 J. Phys. Chem. B 117 4661 DOI: 10.1021/jp309122b
|
[54] |
Abaskharon R M, Culik R M, Woolley G A, Gai F 2015 J. Phys. Chem. Lett. 6 521 DOI: 10.1021/jz502654q
|
[55] |
|
[56] |
|
[57] |
Jorgensen W L, Chandrasekhar J, Madura J D, Impey R W, Klein M L 1983 J. Chem. Phys. 79 926 DOI: 10.1063/1.445869
|
[58] |
MacKerell A D, Bashford D, Bellott M et al. 1998 J. Phys. Chem. B 102 3586 DOI: 10.1021/jp973084f
|
[59] |
Altis A, Otten M, Nguyen P H, Hegger R, Stock G 2008 J. Chem. Phys. 128 245102 DOI: 10.1063/1.2945165
|
[60] |
|
[61] |
|
[62] |
|