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Article

Evaluation of active designs of cephalosporin C acylase by molecular dynamics simulation and molecular docking.

Journal of molecular modeling - 1 Jul 2014

Li Qing, Huang Xiaoqiang, Zhu Yushan

Abstract excerpt

Optimization to identify the global minimum energy conformation sequence in in silico enzyme design is computationally non-deterministic polynomial-time (NP)-hard, with the search time growing exponentially as the number of design sites increases. This drawback forces the modeling of protein-liga...

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Identifiers

PMID: 24935111
DOI: 10.1007/s00894-014-2314-5

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 4 Sept 2026. Prepared record publication-24935111-2026-09-04.2. Manifest publication-graph-cohort-2026-09-04.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 4 Sept 2026.

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