Tructures. Proteins. 2005; 59:773?82. [PubMed: 15815975] (57). Mu Y, Kosov DS, Stock G. Conformational Dynamics of Trialanine in Water. 2. Comparison of Amber, Charmm, Gromos, and Opls Force Fields to Nmr and Infrared Experiments. J. Phys. Chem. B. 2003; 107:5064?073. (58). Mu Y, Stock G. Conformational Dynamics of Trialanine in Water: A Water Dynamics Study. J. Phys. Chem. B. 2002; 106:5294?301. (59). Glasoe PK, Long FA. Use of Glass Electrodes to Measure Acidities in Deuterium Oxide. J. Phys. Chem. 1960; 64:188?90. (60). Jentzen W, Unger E, Karvounis G, Shelnutt JA, Dreybrodt W, Schweitzer-Stenner R. Conformational Properties of Nicke (Ii) Octaethylporphyrin in Answer. 1. Resonance Excitation Profiles and Temperature Dependence of Structure-Sensitive Raman Lines. J. Phys. Chem. 1995; 100:14184?4191. (61). Toal S, Omidi A, Schweitzer-Stenner R. Conformational Alterations of Trialanine Induced by Direct Interactions in between Alanine Residues and Alcohols in Binary Mixtures of Water with Glycerol and Ethanol. J. Am. Chem. Soc. 2011; 133:12728?2739. [PubMed: 21728315] (62). Kaminski GA, Friesner RA, Tirado-Rives Julian, Jorgensen WL. Evaluation and Reparametrization from the Opls-Aa Force Field for Proteins Via Comparison with Accurate Quantum Chemical Calculations on Peptides. J. Phys. Chem. B. 2001; 105:6474?487. (63). Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML. Comparison of Basic Possible Functions for Simulating Liquid Water. J. Chem. Phys. 1983; 79:926?35. (64). Berendsen HJC, Grigera JR, Straatsma TP. The Missing Term in Effective Pair Potentials. J. Phys. Chem. 1987; 91:6269?271. (65). Horn HW, Swope WC, Pitera JW, Madura JD, Dick TJ, Hura GL, Head-Gordon T. Development of an Improved Four-Site Water Model for Biomolecular Simulations: Tip4p-Ew. J. Chem. Phys. 2004; 120:9665?678. [PubMed: 15267980] (66). Schweitzer-Stenner R. Advances in Vibrational Spectroscopy as a Sensitive Probe of Peptide and Protein Structure. A Important Evaluation. Vibr. Spectrosc. 2006; 42:98?17. (67). Krimm S, Bandekar J. Vibrational Spectroscopy of Peptides and Proteins. Adv. Protein Chem. 1986; 38:181. [PubMed: 3541539]NIH-PA Author Manuscript NIH-PA Author Manuscript NIH-PA Author ManuscriptJ Phys Chem B.3-Amino-5-(tert-butyl)phenol manufacturer Author manuscript; obtainable in PMC 2014 April 11.4-(1,3-Dioxolan-2-yl)piperidine manufacturer Toal et al.Web page(68). Chen XG, Schweitzer-Stenner R, Mirkin NG, Krimm S, Asher SA. N-Methylacetamide and Its Hydrogen-Bonded Water Molecules Are Vibrationally Coupled.PMID:33650939 J. Am. Chem. Soc. 1994; 116:11141?1142. (69). Sieler G, Schweitzer-Stenner R. The Amide I Mode of Peptides in Aqueous Answer Involves Vibrational Coupling between the Peptide Group and Water Molecules on the Hydration Shell. J. Am. Chem. Soc. 1997; 119:1720?726. (70). Sieler G, Schweitzer-Stenner R, Holtz JSW, Pajcini V, Asher SA. Various Conformers and Protonation States of Dipeptides Probed by Polarized Raman,Uv-Resonance Raman, and Ftir Spectroscopy. J. Phys. Chem. B. 1999; 103:372?84. (71). Schweitzer-Stenner R, Eker F, Huang Q, Griebenow K, Mroz PA, Kozlowski PM. Structure Evaluation of Dipeptides in Water by Exploring and Using the Structural Sensitivity of Amide Iii by Polarized Visible Raman, Ftir-Spectroscopy and Dft Primarily based Standard Coordinate Evaluation. J. Phys. Chem. B. 2002; 106:4294?304. (72). Schweitzer-Stenner R. Dihedral Angles of Tripeptides in Remedy Determined by Polarized Raman and Ftir Spectroscopy. Biophys. J. 2002; 83:523?32. [PubMed: 12080139] (73). Schweitzer-Stenner R. Distribution of Conformations.