换一批Determining the unbinding events and conserved motions associated with the pyrazinamide release due to resistance mutations of <i>Mycobacterium tuberculosis</i> pyrazinamidase.
第一作者：
Olivier,Sheik Amamuddy
第一单位：
Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown, South Africa.
作者：
关键词
3D, Three-dimensionalACPYPE, AnteChamber Python Parser interfaceAmber force field parametersCHPC, Center for High Performance ComputingCOM, Center of massDrug resistanceDrug unbindingFDA, Food and Drug AdministrationHTMD, High throughput molecular dynamicsINH, IsoniazidMBS, Metal binding siteMCBP, Metal Center Parameter BuilderMD, Molecular dynamicsMDR-TB, Multidrug-resistant tuberculosisMissense mutationsMolecular dynamics simulationsPBC, Periodic boundary conditionsPDB, Protein Data bankPOA, Pyrazinoic acidPZA, PyrazinamidePZase, PyrazinamidaseQM, Quantum MechanicsRIF, RifampicinSGNA, Statistically guided network analysisStatistically guided network analysisTB, TuberculosisVAPOR, Variant Analysis PortalWHO, World Health OrganizationWT, Wild type
DOI
10.1016/j.csbj.2020.05.009
PMID
32489525
发布时间
2024-07-29
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