(Q57906228)

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Masahiro Kinoshita

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Yuko Okamoto

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Fumio Hirata

Optimization by Simulated Annealing

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publication date

October 2000

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published in

Chemical Physics Letters

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volume

329

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issue

3-4

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page(s)

295-303

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cites work

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Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm

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Solvation structure and stability of peptides in aqueous solutions analyzed by the reference interaction site model theory

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First-Principle Determination of Peptide Conformations in Solvents: Combination of Monte Carlo Simulated Annealing and RISM Theory

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Analysis on conformational stability of C-peptide of ribonuclease A in water using the reference interaction site model theory and Monte Carlo simulated annealing

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Multicanonical ensemble: A new approach to simulate first-order phase transitions

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Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple-minima problem

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Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

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Probability Distributions for Complex Systems: Adaptive Umbrella Sampling of the Potential Energy

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Characterization of flexible molecules in solution: the RGDW peptide.

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Effects of Side-Chain Charges on α-Helix Stability in C-Peptide of Ribonuclease A Studied by Multicanonical Algorithm

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Temperature dependence of distributions of conformations of a small peptide.

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α-Helix propensities of homo-oligomers in aqueous solution studied by multicanonical algorithm

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Prediction of α-Helix Folding of Isolated C-Peptide of Ribonuclease A by Monte Carlo Simulated Annealing

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