(Q62733691)

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Simulations of the thermodynamic properties of a short polyalanine peptide using potentials of mean force

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Simulations of the thermodynamic properties of a short polyalanine peptide using potentials of mean force (English)

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Matteo Pellegrini

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Niels Grønbech-Jensen

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Niels Grønbech-Jensen

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Sebastian Doniach

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Sebastian Doniach

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publication date

May 1997

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published in

Physica A

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volume

239

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issue

1-3

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page(s)

244-254

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Molecular dynamics simulations of helix denaturation

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Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

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Free energy determinants of secondary structure formation: I. alpha-Helices

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Hydration of nucleic acid fragments: comparison of theory and experiment for high-resolution crystal structures of RNA, DNA, and DNA-drug complexes

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Potentials of mean force for biomolecular simulations: Theory and test on alanine dipeptide

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Theory of the Phase Transition between Helix and Random Coil in Polypeptide Chains

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Parameters of helix-coil transition theory for alanine-based peptides of varying chain lengths in water

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Exchange kinetics of individual amide protons in 15N-labeled helical peptides measured by isotope-edited NMR.

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Optimization by Simulated Annealing

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10.1016/S0378-4371(96)00483-9

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(Q62733691)

Simulations of the thermodynamic properties of a short polyalanine peptide using potentials of mean force

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