Insight to structural subsite recognition in plant thiol protease-inhibitor complexes : Understanding the basis of differential inhibition and the role of water

BACKGROUND: This work represents an extensive MD simulation / water-dynamics studies on a series of complexes of inhibitors (leupeptin, E-64, E-64-C, ZPACK) and plant cysteine proteases (actinidin, caricain, chymopapain, calotropin DI) of papain family to understand the various interactions, water b...

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Pubblicato in:	BMC Struct Biol
Autori principali:	Bhattacharya, Suparna, Ghosh, Sreya, Chakraborty, Sibani, Bera, Asim K, Mukhopadhayay, Bishnu P, Dey, Indrani, Banerjee, Asok
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	BMC 2001
Soggetti:	Research Article
Accesso online:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC57815/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11602025/ https://ncbi.nlm.nih.govhttps://doi.org/10.1186/1472-6807-1-4
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