Abstract
In this work, the conformational behavior of ribonuclease Sso7d is studied as a function of chirality of its constituting amino acids. Both optimized structures (using molecular mechanics with the CHARMM force field) and dynamic behavior (obtained by molecular dynamic simulations) are compared.
MeSH terms
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Amino Acids / chemistry*
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Amino Acids / metabolism*
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Binding Sites
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Models, Molecular
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Protein Structure, Tertiary
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Ribonucleases / chemistry*
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Ribonucleases / classification
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Ribonucleases / metabolism*
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Stereoisomerism
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Structural Homology, Protein
Substances
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Amino Acids
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Ribonucleases