References
- I. Moreno-Gonzalez and C. Soto, Semin. Cell Dev. Biol. 22 (5), 482–487 (2011).
- J. Kästner, WIREs. Comput. Mol. Sci. 1 (6), 932–942 (2011).
- L. Alessandro and L.G. Francesco, Rep. Prog. Phys. 71, 126601 (2008).
- Y. Sugita and Y. Okamoto, Chem. Phys. Lett. 314 (1–2), 141–151 (1999).
- Y. Sugita, A. Kitao, and Y. Okamoto, J. Chem. Phys. 113 (15), 6042–6051 (2000).
- H. Okumura and S.G. Itoh, Phys. Chem. Chem. Phys. 15 (33), 13852–13861 (2013).
- M. Araki and A. Tamura, Proteins Struct. Funct. Bioinform. 66 (4), 860–868 (2007).
- Y.Q. Gao, J. Chem. Phys. 128, 064105 (2008).
- L. Yang, Q. Shao, and Y.Q. Gao, J. Chem. Phys. 130, 124111 (2009).
- Y.Q. Gao, J. Chem. Phys. 128, 134111 (2008).
- Y.Q. Gao, L. Yang, Y. Fan, and Q. Shao, Int. Rev. Phys. Chem. 27 (2), 201–227 (2008).
- L. Yang, C.-W. Liu, Q. Shao, J. Zhang, and Y.Q. Gao, Acc. Chem. Res. 48 (4), 947–955 (2015).
- Z.-N. Chen, L. Shen, M. Yang, G. Fu, and H. Hu, J. Phys. Chem. C 119 (47), 26422–26428 (2015).
- G. Sun and H. Jiang, J. Chem. Phys. 143, 234706 (2015).
- J. Chen, W. Im, and C.L. Brooks, J. Am. Chem. Soc. 128 (11), 3728–3736 (2006).
- M. Yang, L. Yang, Y. Gao, and H. Hu, J. Chem. Phys. 141, 044108 (2014).
- D. Van Der Spoel, E. Lindahl, B. Hess, G. Groenhof, A.E. Mark, and H.J.C. Berendsen, J. Comput. Chem. 26 (16), 1701–1718 (2005).
- A. Amadei, A.B.M. Linssen, and H.J.C. Berendsen, Proteins Struct. Funct. Bioinform. 17 (4), 412–425 (1993).
- A. Kitao and N. Go, Curr. Opin. Struct. Biol. 9 (2), 164–169 (1999).
- B. Zagrovic and W.F. van Gunsteren, Proteins Struct. Funct. Bioinform. 63 (1), 210–218 (2006).
- Q. Shao, H. Wei, and Y.Q. Gao, J. Mol. Biol. 402 (3), 595–609 (2010).
- E. de Alba, M.A. Jiménez, and M. Rico, J. Am. Chem. Soc. 119 (1), 175–183 (1997).
- S.G. Itoh, A. Tamura, and Y. Okamoto, J. Chem. Theory Comput. 6 (4), 979–983 (2010).
- E.A. Cino, W.-Y. Choy, and M. Karttunen, J. Chem. Theory Comput. 8 (8), 2725–2740 (2012).
- K.A. Beauchamp, Y.-S. Lin, R. Das, and V.S. Pande, J. Chem. Theory Comput. 8 (4), 1409–1414 (2012).
- D. Matthes and B.L. de Groot, Biophys. J. 97 (2), 599–608 (2009).
- P.L. Freddolino, S. Park, B. Roux, and K. Schulten, Biophys. J. 96 (9), 3772–3780 (2009).
- K.K. Patapati and N.M. Glykos, Biophys. J. 101 (7), 1766–1771 (2011).