Construction of dimeric hTSPO protein model using homology modeling and molecular dynamics

modeling and simulation of nano structures with using molecular dynamics

according to recent achievements in nano technology we can see its effects in different engineering fields. in nano manufacture process the first essential step is modeling coordinately in order to make it available different software are developing for this propose.  in this paper nano modeling for two papers is developed first understanding structure in nano and micro size and second simulati...

homology modeling of human nmda receptor and studies of the channel symmetry using brownian dynamics simulation

scour modeling piles of kambuzia industrial city bridge using hec-ras and artificial neural network

today, scouring is one of the important topics in the river and coastal engineering so that the most destruction in the bridges is occurred due to this phenomenon. whereas the bridges are assumed as the most important connecting structures in the communications roads in the country and their importance is doubled while floodwater, thus exact design and maintenance thereof is very crucial. f...

Regioselectivity of CYP2B6: homology modeling, molecular dynamics simulation, docking.

Human cytochrome P450 (CYP) 2B6 activates the anticancer prodrug cyclophosphamide (CPA) by 4-hydroxylation. In contrast, the same enzyme catalyzes N-deethylation of a structural isomer, the prodrug ifosfamide (IFA), thus causing severe adverse drug effects. To model the molecular interactions leading to a switch in regioselectivity, the structure of CYP2B6 was modeled based on the structure of ...

Homology Modeling, Molecular Dynamics, Protein-Protein and Protein-Ligand Docking Studies of Inward Rectifier Human Potassium Channel

Inwardly rectifying potassium channels are potassium selective ion channels. In this study, the structure of inwardrectifying K + channel was analyzed following the homology modeling utilizing the crystal structure of 1ORQ (voltage dependent K + channel protein) as template from Aeropyrum pernix through MODELLER 9v1. Refined model of protein structure was obtained after energy minimization and ...