This paper shows how homology modeling works for given protein sequence and how it is implemented in grid environment. Homology modeling involves taking a known sequence with an unknown structure and mapping against a known structure of one or several similar protein. The quality of homology modeling is dependent on the quality of the sequence alignment and template structure. Based on this mod...

In this paper we describe a model based on persistent homology that describes interactions between mathematicians in terms of collaborations. Some ideas from classical data analysis are used.

despite a quite short early history, computational drug design and discovery methods can now be efficient in reducing costs and speeding up drug developing procedure. melanocortin-4 receptor (mc4r) is a g protein-coupled receptor implicated in the regulation of body weight. despite its clinical reputation, there is a lack of in-depth knowledge about structure and behavior of mc4r in lipid bilay...

background: meict is the first chlorotoxin-like peptide isolated from the iranian scorpion mesobuthus eupeus. chlorotoxin (ctx) is a neurotoxin that specially binds to (mmp-2) on ma-lignant cells and now is used in treatment of glioma. in the present study, we have used homology modeling to propose the 3d structure of meictand analyze its interaction with mmp-2 and its snp types. methods:the st...

Background: MeICT is the first chlorotoxin-like peptide isolated from the Iranian Scorpion Mesobuthus eupeus. Chlorotoxin (CTX) is a neurotoxin that specially binds to (MMP-2) on ma-lignant cells and now is used in treatment of glioma. In the present study, we have used homology modeling to propose the 3D structure of MeICTand analyze its interaction with MMP-2 and its SNP types. Methods:The ...

MOTIVATION Predicting the structure of protein loops is very challenging, mainly because they are not necessarily subject to strong evolutionary pressure. This implies that, unlike the rest of the protein, standard homology modeling techniques are not very effective in modeling their structure. However, loops are often involved in protein function, hence inferring their structure is important f...

The PRAF family of proteins is a plant specific family of proteins with distinct domain architecture and various unique sequence/structure traits. We have carried out an extensive search of the Arabidopsis genome using an automated pipeline and manual methods to verify previously known and identify unknown instances of PRAF proteins, characterize their sequence and build 3D structures of their ...

The present study is undertaken to predict the three dimensional structure of γ-Hexachlorocyclohexane dehydrochlorinase (linA) in Sphingomonas paucimobilis UT26. γ-Hexachlorocyclohexane dehydrochlorinase (linA) catalyzes the initial steps in the biotransformation of the important insecticide γhexachlorocyclohexane (γ-HCH) by the soil bacterium Sphingomonas paucimobilisUT26. Stereo chemical anal...