Origin of Correlations between Local Conformational States of Consecutive Amino Acid Residues and Their Role in Shaping Protein Structures and in Allostery

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Title

Origin of Correlations between Local Conformational States of Consecutive Amino Acid Residues and Their Role in Shaping Protein Structures and in Allostery

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The University of Auckland Library

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Description

By analyzing the Kubo-cluster-cumulant expansion of the potential of mean force of polypeptide chains corresponding to backbone-local interactions averaged over the rotation of the peptide groups about the Cα···Cα virtual bonds, we identified two important kinds of "along-chain" correlations that pertain to extended chain segments bordered by turns (usually the β-strands) and to the folded spring-like segments (usually α-helices), respectively, and are expressed as multitorsional potentials. ...

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Format

Research paper

Research format

Journal article

Date created

2022-11

Creator

Sikorska, Celina / Liwo, Adam

URL

https://hdl.handle.net/2292/67889

Related subjects

Amino Acids / Peptides / Proteins / Protein Conformation / 34 Chemical Sciences / Science & Technology / Physical Sciences / Chemistry, Physical / Chemistry / STRUCTURE PREDICTION / FORCE-FIELD / STRUCTURE SIMULATIONS / DYNAMICS / MODELS / POTENTIALS / TERMS / 02 Physical Sciences / 03 Chemical Sciences / 09 Engineering / 40 Engineering / 51 Physical sciences

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