On the use of one-step perturbation to investigate the dependence of NOE-derived atom–atom distance bound violations of peptides upon a variation of force-field parameters
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Medicine,Biophysics
Link
http://link.springer.com/content/pdf/10.1007/s00249-014-0943-3.pdf
Reference31 articles.
1. Bachmann S, Dolenc J, van Gunsteren WF (2013) On the use of one-step perturbation to investigate the dependence of different properties of liquid water upon a variation of model parameters from a single simulation. Mol Phys 111(14–15):2334
2. Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (1995) A second generation force field for the simulation of proteins, nucleic acids, and organic molecules. J Am Chem Soc 117(19):5179–5197
3. Daura X, Gademann K, Jaun B, Seebach D, van Gunsteren WF, Mark AE (1999) Peptide folding: when simulation meets experiment. Angew Chem Int Ed 38(1–2):236–240
4. Eichenberger AP, Gattin Z, Yalak G, van Gunsteren WF (2010) Molecular dynamics simulation of ester-linked hen egg white lysozyme reveals the effect of missing backbone hydrogen bond donors on the protein structure. Helv Chim Acta 93(10):1857–1869
5. Eichenberger AP, Allison JR, Dolenc J, Geerke DP, Horta BAC, Meier K, Oostenbrink C, Schmid N, Steiner D, Wang DQ, van Gunsteren WF (2011) GROMOS plus plus software for the analysis of biomolecular simulation trajectories. J Chem Theory Comput 7(10):3379–3390
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