Open Access
| Issue |
EPJ Web Conf.
Volume 236, 2020
JDN 24 - Neutrons and Biology
|
|
|---|---|---|
| Article Number | 03003 | |
| Number of page(s) | 15 | |
| Section | Small-angle Scattering | |
| DOI | https://doi.org/10.1051/epjconf/202023603003 | |
| Published online | 1 juillet 2020 | |
- L. Verlet, Phys. Rev. 159, 98 (1967). [Google Scholar]
- M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1989). [Google Scholar]
- S.J. Weiner, P.A. Kollman, D.T. Nguyen, D.A. Case, J. Comp. Chem. 7, 230 (1986). [CrossRef] [Google Scholar]
- D.R. Langley, J. Biomol. Struct. Dyn. 16, 487 (1998). [CrossRef] [PubMed] [Google Scholar]
- K. Vanommeslaeghe, E. Hatcher, C. Acharya, S. Kundu, S. Zhong, J. Shim, E. Darian, O. Guvench, P. Lopes, I. Vorobyov, A.D. MacKerell jr., J. Comput. Chem. 31, 671 (2010). [PubMed] [Google Scholar]
- G. Nemethy, M.S. Pottle, H. Scheraga, J. Phys. Chem. 87, 1883 (1983). [Google Scholar]
- W.F. van Gunsteren and H.J.C. Berendsen, Groningen Molecular Simulation (GROMOS) Library Manual (BIOMOS, Nijenborgh, 9747 Ag Groningen, 1987). [Google Scholar]
- C. Oostenbrink, A. Villa, A.E. Mark, W.J. van Gunsteren, Comput. Chem. 25, 1656 (2004). [Google Scholar]
- T.A. Soares et al., J. Comput. Chem. 26, 725 (2005). [CrossRef] [PubMed] [Google Scholar]
- N.L. Allinger, Y.H. Yuh, J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1998). [Google Scholar]
- W.L. Jorgensen, J.D. Madura, C.J. Swenson, J. Amer. Chem. Soc. 106, 6638 (1984). [CrossRef] [Google Scholar]
- G.A. Kaminski et al., J. Comput. Chem. 23, 1515 (2002). [CrossRef] [PubMed] [Google Scholar]
- I.T. Todorov, W. Smith, K. Trachenko, M.T. Dove, J. Mater. Chem. 16, 1911 (2006). [Google Scholar]
- J.C. Phillips, R. Braun, W. Wang, J. Gumbart, E. Tajkhorshid, E. Villa, C. Chipot, R.D. Skeel, L. Kale, K. Schulten. J. Comput. Chem. 26, 1802 (2005). [Google Scholar]
- M.J. Abraham, T. Murtola, R. Schulz, S. Páll, J.C. Smith, B. Hess, E. Lindahl, SoftwareX 1-2, 19 (2015). [Google Scholar]
- B.R. Brooks et al., J. Comput. Chem. 30, 1545 (2009). [CrossRef] [PubMed] [Google Scholar]
- S. Plimpton, J. Comp. Phys. 117, 1 (1995). [Google Scholar]
- N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, E. Teller, J. Chem. Phys. 21, 1087 (1953). [Google Scholar]
- W.K. Hastings, Biometrika 57, 97 (1970). [Google Scholar]
- C.J. Cramer, Essentials of Computational Chemistry (John Wiley & Sons, 2nd edn., 2004). [Google Scholar]
- S. Jo, T. Kim, V.G. Iyer, and W. Im, J. Comput. Chem. 29, 1859 (2008). [CrossRef] [PubMed] [Google Scholar]
- W. Humphrey, A. Dalke, K., J. Schulten, Molec. Graphics 14, 33 (1996). [CrossRef] [PubMed] [Google Scholar]
- P. Debye, Ann. Phys. (Leipzig), 46, 809 (1915). [CrossRef] [Google Scholar]
- D. Svergun, C. Barberato, M.H.J. Koch, J. Appl. Cryst. 28, 768 (1995). [CrossRef] [Google Scholar]
- M.C. Watson and J.E. Curtis, J. Appl. Cryst. 46, 1171 (2013). [CrossRef] [Google Scholar]
- S.J. Perkins et al., J. Appl. Crystall. 49, 1861 (2016). [CrossRef] [Google Scholar]