8. Bibliographie

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V. Luzzati, M. Cesari, G. Spach, F. Masson, and J.M. Vincent. La structure du poly-L-gamma-glutamate de benzyle en solution. Configuration en hélice différente de l'hélice alpha et transitions entre formes hélicoïdales. Journal of Molecular Biology, 3(5):566–584, 1961. doi:10.1016/S0022-2836(61)80022-3.

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Paul Doty, J. H. Bradbury, and A. M. Holtzer. Polypeptides. IV. The Molecular Weight, Configuration and Association of Poly-gamma-benzyl-L-glutamate in Various Solvents. J. Am. Chem. Soc., 78(5):947–954, 1956. doi:10.1021/ja01586a021.

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William L. Jorgensen, Mohammad M. Ghahremanpour, Anastasia Saar, and Julian Tirado-Rives. OPLS/2020 Force Field for Unsaturated Hydrocarbons, Alcohols, and Ethers. J. Phys. Chem. B, 128(1):250–262, 2024. doi:10.1021/acs.jpcb.3c06602.

[5]

Michael J. Robertson, Julian Tirado-Rives, and William L. Jorgensen. Improved Peptide and Protein Torsional Energetics with the OPLS-AA Force Field. J. Chem. Theory Comput., 11(7):3499–3509, 2015. doi:10.1021/acs.jctc.5b00356.

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Fan Jiang, Chen-Yang Zhou, and Yun-Dong Wu. Residue-Specific Force Field Based on the Protein Coil Library. RSFF1: Modification of OPLS-AA/L. J. Phys. Chem. B, 118(25):6983–6998, 2014. doi:10.1021/jp5017449.

[7]

Chen-Yang Zhou, Fan Jiang, and Yun-Dong Wu. Residue-Specific Force Field Based on Protein Coil Library. RSFF2: Modification of AMBER ff99SB. J. Phys. Chem. B, 119(3):1035–1047, 2015. doi:10.1021/jp5064676.

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W. Dietz and K. Heinzinger. Structure of Liquid Chloroform. A Comparison between Computer Simulation and Neutron Scattering Results. Berichte der Bunsengesellschaft für physikalische Chemie, 88(6):543–546, 1984. doi:10.1002/bbpc.19840880609.

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W. Dietz and K. Heinzinger. A Molecular Dynamics Study of Liquid Chloroform. Berichte der Bunsengesellschaft für physikalische Chemie, 89(9):968–977, 1985. doi:10.1002/bbpc.19850890909.

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H. Kovacs, J. Kowalewski, A. Maliniak, and P. Stilbs. Multinuclear relaxation and NMR self-diffusion study of the molecular dynamics in acetonitrile-chloroform liquid mixtures. J. Phys. Chem., 93(2):962–969, 1989. doi:10.1021/j100339a080.

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H. Kovacs, J. Kowalewski, and A. Laaksonen. Molecular dynamics simulation of liquid mixtures of acetonitrile and chloroform. J. Phys. Chem., 94(19):7378–7385, 1990. doi:10.1021/j100382a013.

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Ilario G. Tironi and Wilfred F. Van Gunsteren. A molecular dynamics simulation study of chloroform. Molecular Physics, 83(2):381–403, 1994. doi:10.1080/00268979400101331.

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H. Hubel, D. A. Faux, R. B. Jones, and D. J. Dunstan. Solvation pressure in chloroform. The Journal of Chemical Physics, 124(20):204506, 2006. doi:10.1063/1.2199531.

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Tod A. Pascal, Shiang-Tai Lin, and William A. Goddard Iii. Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics. Phys. Chem. Chem. Phys., 13(1):169–181, 2011. doi:10.1039/C0CP01549K.

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Carl Caleman, Paul J. Van Maaren, Minyan Hong, Jochen S. Hub, Luciano T. Costa, and David Van Der Spoel. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant. J. Chem. Theory Comput., 8(1):61–74, 2012. doi:10.1021/ct200731v.

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Martin Neumann. Dipole moment fluctuation formulas in computer simulations of polar systems. Molecular Physics, 50(4):841–858, 1983. doi:10.1080/00268978300102721.

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Stefan Boresch and Othmar Steinhauser. Presumed versus real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions. Ber Bunsenges Phys Chem, 101(7):1019–1029, 1997. doi:10.1002/bbpc.19971010706.

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RDKit: : Open-Source Cheminformatics Software. https://www.rdkit.org/.