Advances in Energy System Optimization : Proceedings of the 2nd International Symposium on Energy System Optimization
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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
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Article
New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (b...
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Página del recursoLinear methods in band theory
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Article
Two approximate methods for solving the band-structure problem in an efficient and physically transparent way are presented and discussed in detail. The variational principle for the one-electron Hamiltonian is used in b...
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Página del recursoWind Energy and Engineering Research
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Article
Subjects / keywords: wind energy, wind turbine design, aerodynamics and hydrodynamics, wind power forecasting and optimization, wind energy sustainability, wind-to-x and energy storage; Technology: Mechanical engineering and machinery: Renew...
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Open AccessAutomated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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Article
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the...
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