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• W2074157044 abstract "We are using a variety of theoretical and computational techniques to study protein structure, protein folding, and higher-order structures. Our earlier work involved treatments of liquid water and aqueous solutions of nonpolar and polar solutes, computations of the stabilities of the fundamental structures of proteins and their packing arrangements, conformations of small cyclic and open-chain peptides, structures of fibrous proteins (collagen), structures of homologous globular proteins, introduction of special procedures as constraints during energy minimization of globular proteins, and structures of enzyme-substrate complexes. Recently, we presented a new methodology for predicting polypeptide structure (described here); the method is based on the calculation of the probable and average conformation of a polypeptide chain by the application of equilibrium statistical mechanics in conjunction with an adaptive, importance sampling Monte Carlo algorithm. As a test, it was applied to Met-enkephalin." @default.
• W2074157044 created "2016-06-24" @default.
• W2074157044 creator A5022665888 @default.
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• W2074157044 date "1986-12-01" @default.
• W2074157044 modified "2023-09-27" @default.
• W2074157044 title "Conformational Energy Calculations on Polypeptides and Proteins: Use of a Statistical Mechanical Procedure for Evaluating Structure and Properties" @default.
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• W2074157044 doi "https://doi.org/10.1111/j.1749-6632.1986.tb20937.x" @default.
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