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ab initio calculation
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computer simulation
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molecular dynamics calculation
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ab initio calculation
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molecular dynamics calculation
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Molecular modelling : principles and applications /
Leach, Andrew R.
2001
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Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2010
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Ab initio molecular dynamics : basic theory and advanced methods /
Marx, Dominik
2012
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Molecular modelling : principles and applications /
Leach, Andrew R.
1996
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ER-C-3
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Name
Hutter, Jürg
2
Leach, Andrew R.
2
Marx, Dominik
2
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ab initio calculation
computer simulation
molecular dynamics calculation
Monte Carlo method
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conformational analysis
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molecular modeling
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protein folding
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protein structure
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quantum mechanics
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Classification
CHJ - Molecular physics, molecular structure
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CHO - Electronic structure of molecules, molecular orbitals, ligand field theory
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LAN - Biology - mathematical methods, statistics
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MSH - Mathematical methods in life sciences
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010 - Simulation Science (textbook)
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