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Article

Folding processes of the B domain of protein A to the native state observed in all-atom ab initio folding simulations.

The Journal of chemical physics - 21 Jun 2008

Lei Hongxing, Wu Chun, Wang Zhi-Xiang, Zhou Yaoqi, Duan Yong

Abstract excerpt

Reaching the native states of small proteins, a necessary step towards a comprehensive understanding of the folding mechanisms, has remained a tremendous challenge to ab initio protein folding simulations despite the extensive effort. In this work, the folding process of the B domain of protein A (BdpA) has been simulated by both conventional and replica exchange molecular dynamics using AMBER FF03 all-atom force...

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Identifiers

PMID: 18570534
DOI: 10.1063/1.2937135
PMCID: PMC2671663

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

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