modeling and simulation techniques are now widely used alongside with their experimental counterparts in order to complement them, or sometimes to bring first insights into the possible outcome of experiments. “modeling” is a general word that could encompass a wide range of methods that could be applied to a variety of subjects and problems. here, the use of selected molecular modeling methods...

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 ...

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...

Abstract We describe a new geometric model for the Hochschild cohomology of Soergel bimodules based on monodromic Hecke category studied earlier by first author and Yun. Moreover, we identify objects representing individual groups (for zero top degree this reduces to an result Gorsky, Hogancamp, Mellit Nakagane). These turn out be closely related explicit character sheaves corresponding exterio...