Computational study of the folded structure of the miniprotein CLN025 in explicit and implicit solvents

Computational study of the folded structure of the miniprotein CLN025 in explicit and implicit solvents

A Rodriguez1, MP Mokoena2, F Corcho1, K Bisetty2, JJ Perez11Department d’ Enginyeria Quimica (UPC) ETS d’Enginyers Industrials, Av.Diagonal, 647, 08028 Barcelona, Spain.2Department of Biotechnology & Chemistry, Durban University of Technology, P.O. Box 1334, Durban, 4000, South Africa. ABSTRACT The prediction capabilities of…

Structural and functional classification of RNA structures: Efforts and applications

Structural and functional classification of RNA structures: Efforts and applications

Dhananjay Bhattacharyya1, Sukanya Halder1, Stephanie Kaypee2, Shubhra Sankar Ray31Biophysics Division, Saha Institute of Nuclear Physics, Kolkata, India.2Jawharlal Nehru Center for Advanced Scientific Research, Bangalore, India.3Indian Statistical Institute, Kolkata, India. ABSTRACT One of the important goals of biological investigation is to classify and…

Physicochemical Features of Interfaces and Quaternary States of Hemoglobin

Physicochemical Features of Interfaces and Quaternary States of Hemoglobin

Pinak ChakrabartiDepartment of Biochemistry and Bioinformatics Centre, Bose Institute, Kolkata 700054, India. ABSTRACT To understand the physicochemical features underlying molecular recognition structural databases have been generated representing different types of protein-protein interfactions, such as ‘strong’ homodimers (which are permanent in nature), ‘weak’…

The use of bioinformatics methods in general anaesthetics research

The use of bioinformatics methods in general anaesthetics research

PL ChauBioinformatique Structurale CNRS URA 2185 Institut Pasteur 75724 Paris, France. ABSTRACT Modern medicine, especially surgery, would not have been possible without general anaesthetics. Although they have been in use for over 160 years, their mechanism of action is still poorly understood….

Biomolecular mechanism discovery driven by computational biology: Functions of uncharacterized genes

Biomolecular mechanism discovery driven by computational biology: Functions of uncharacterized genes

Frank EisenhaberDirector – Bioinformatics Institute (BII) Agency for Science, Technology and Research (A*STAR) 30 Biopolis Street #07-01, Matrix Building, 138671, Singapore. ABSTRACT Although life sciences are not truly an area of theoretical research, there are important niches where non-experimental efforts can make…

Structural and biochemical studies of Serine Acetyltransferase reveal why the parasite Entamoeba histolytica cannot form Cysteine Synthase complex

Structural and biochemical studies of Serine Acetyltransferase reveal why the parasite Entamoeba histolytica cannot form Cysteine Synthase complex

Sudhir Kumar1, Isha Raj1, Isha Nagpal1, N Subbarao2, S Gourinath11School of Life Sciences, Jawaharlal Nehru University, New Delhi-110067, India.2School of computational and integrative sciences, Jawaharlal Nehru University, New Delhi-110067, India. ABSTRACT Cysteine (cys) plays a major role in growth and survival of…

Global Optimization by Conformational Space Annealing And its Applications to Various Biological Systems

Global Optimization by Conformational Space Annealing And its Applications to Various Biological Systems

Jooyoung LeeCenter for In Silico Protein Science & School of Computational Sciences, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722, Korea ABSTRACT One of the fundamental goals of modern sciences is to understand the nature of life, and deciphering the…

Candidate gene prioritization and validation using an integrated network-based approach

Candidate gene prioritization and validation using an integrated network-based approach

Kenji MizuguchiNational Institute of Biomedical Innovation, 7-6-8 Asagi-Saito, Ibaraki-City, Osaka, 567-0085, Japan ABSTRACT We have recently developed TargetMine, an integrated data warehouse for assisting drug discovery (http://targetmine.nibio.go.jp) and proposed an interactive method for target prioritization [1]. Target Mine and other computational biology…

Deciphering cardiac gene regulatory networks

Deciphering cardiac gene regulatory networks

Mirana Ramialison, Romaric Bouveret, Tram Doan, Danielle de Jong, Nicole Schonrock, Richard P HarveyThe Victor Chang Cardiac Research Institute, Sydney, Australia ABSTRACT The heart is a complex organ which successful develop­ment relies in part on complex feedback loops and cross-regulation between cardiac…

Molecular simulation to biochemical network perturbation in infectious disease

Molecular simulation to biochemical network perturbation in infectious disease

Shailza SinghNational Centre for Cell Science, NCCS Complex, Pune University Campus, Pune 411007, India. ABSTRACT Computational systems biology aims to develop a class of integrated mathematical, computational and experimental techniques with the goal of linking the knowledge of different molecular parts of…