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Stereochemistry and Validation of Macromolecular Structures.

ABSTRACT: Macromolecular structure is governed by the strict rules of stereochemistry. Several approaches to the validation of the correctness of the interpretation of crystallographic and NMR data that underlie the models deposited in the PDB are utilized in practice. The stereochemical rules applicable to macromolecular structures are discussed in this chapter. Practical, computer-based methods and tools of verification of how well the models adhere to those established structural principles to assure their quality are summarized.

SUBMITTER: Wlodawer A

PROVIDER: S-EPMC5560084 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature

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Stereochemistry and Validation of Macromolecular Structures.

Wlodawer Alexander A

Methods in molecular biology (Clifton, N.J.) 20170101

Macromolecular structure is governed by the strict rules of stereochemistry. Several approaches to the validation of the correctness of the interpretation of crystallographic and NMR data that underlie the models deposited in the PDB are utilized in practice. The stereochemical rules applicable to macromolecular structures are discussed in this chapter. Practical, computer-based methods and tools of verification of how well the models adhere to those established structural principles to assure t ...[more]

PMID: 28573590

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