SciSamma 44 is a scientific workflow for structural approach and molecular modeling analyses (ie, homology modeling analyses) build on top of SciCumulus and deployed on Amazon Web Services.
In this study, the catalytic mechanism of the enzyme PoAbf was elucidated and its nucleophile catalytic residue was investigated by bioinformatics and molecular modeling analyses.
In addition, Tm, CD, fluorescent resonance energy transfer assays, and molecular modeling analyses were carried out to define their structural activity relationships and possible mechanisms of action.
Moreover, the nature of the recognition between MIP and template has been investigated by NMR and molecular modelling to analyse whether or not it is possible to predict how well a given MIP will perform under set conditions.
This knowledge base provides the sequences, phylogenetic clustering, domain architectures of myosins and molecular models, structural analyses, and relevant literature of their coiled-coil domains.
We show by molecular modeling and analyses of RPGR disease-mutations that the RPGR-interacting domain (RID) of RPGRIP1 embraces multivalently the shared RHD of RPGR1 19 and RPGRORF15 isoforms and the mutations are non-overlapping with the interface found between RCC1 and Ran GTPase.
Brinkworth et al have made use of the available crystal structures, molecular modelling and sequence analyses of kinases and substrates to predict the optimal substrate peptides [7].
To confirm our molecular modelling and structural analyses, the crystal structure of nitrilase should be determined.
The functional clues of FATE/BJ-HCC-2 and TPTE/BJ-HCC-5 make them the molecular models for analysing the shared mechanism between gametogenesis and tumourigenesis.
Molecular dynamics modeling analyses suggest that the increase in H209N thermostability may beattributed to a higher number of short helices and salt bridges, which displayed a positive charge in the catalytic core, stabilizing its tertiary structure.
