Computational Biophysics

The Importance of α-CT and Salt bridges in the Formation of Insulin and its Receptor Complex by Computational Simulation

Insulin hormone is an important part of the endocrine system. It contains two polypeptide chains and plays a pivotal role in regulating carbohydrate metabolism. Insulin receptors (IR) located on cell surface interacts with insulin to control the intake of glucose. Although several studies have tried to clarify the interaction between insulin and its receptor, the mechanism of this interaction r...

The Importance of α-CT and Salt bridges in the Formation of Insulin and its Receptor Complex by Computational Simulation

Insulin hormone is an important part of the endocrine system. It contains two polypeptide chains and plays a pivotal role in regulating carbohydrate metabolism. Insulin receptors (IR) located on cell surface interacts with insulin to control the intake of glucose. Although several studies have tried to clarify the interaction between insulin and its receptor, the mechanism of this interaction r...

Computational Identification of Micro RNAs and Their Transcript Target(s) in Field Mustard (Brassica rapa L.)

Background: Micro RNAs (miRNAs) are a pivotal part of non-protein-coding endogenous small RNA molecules that regulate the genes involved in plant growth and development, and respond to biotic and abiotic environmental stresses posttranscriptionally.Objective: In the present study, we report the results of a systemic search for identifi cation of new miRNAs in B. rapa using homology-based ...

Variability of the Cyclin-Dependent Kinase 2 Flexibility Without Significant Change in the Initial Conformation of the Protein or Its Environment; a Computational Study

Background: Protein flexibility, which has been referred as a dynamic behavior has various roles in proteins’ functions. Furthermore, for some developed tools in bioinformatics, such as protein-protein docking software, considering the protein flexibility, causes a higher degree of accuracy. Through undertaking the present work, we have accomplished the quantification plus analysis of the varia...

Preface, Special Jcp Volume in Computational Molecular Biophysics Computational Molecular Biophysics Today: a Connuence of Methodological Advances and Complex Biomolecular Applications

Achievements and challenges in structural bioinformatics and computational biophysics

MOTIVATION The field of structural bioinformatics and computational biophysics has undergone a revolution in the last 10 years. Developments that are captured annually through the 3DSIG meeting, upon which this article reflects. RESULTS An increase in the accessible data, computational resources and methodology has resulted in an increase in the size and resolution of studied systems and the ...