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Membrane Modelling and Dynamics

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Guest Editors

Swarna Mayee Patra

Swarna Mayee Patra

R V College of Engineering

Dr Swarna M Patra is working as assistant professor in the Department of Chemistry, RV College of Engineering since 2012. She has obtained her PhD degree in computational chemistry, Sambalpur University, Orissa and has Post-Doctoral experience from various reputed institutes like IISc, JNCASR and University of Sydney. Dr Patra has got industry experience from General Electric Plastic. Her research interests are in the areas of Chemical Graph Theory, Docking, Molecular Dynamics Simulation, QSPR/QSAR and Outcome based education. During her PhD she used Chemical Graph theory to study small molecules, designing of topological indices for QSPR studies, Protein folding studies using graph theoretical techniques. Dr Patra worked on Protein Ligand binding studies using various docking software and refinement of results using molecular dynamics simulation, Molecular Dynamics simulation to study membrane proteins, Ion Channels and Pore forming Toxin. Besides these she has a special interest towards outcome-based education to enhance the research and learning outcomes of the learners.

Jayalatha G

Jayalatha G

R V College of Engineering

Dr. Jayalatha G, is a professor and Head of the Department, Department of Mathematics, R V College of Engineering, India. Having completed her PhD in 2004 on variable viscosity viscoelastic liquids under terrestrial or microgravity conditions, she joined R V College of Engineering. She has been working closely for 11 years on biology related projects especially on meta dynamics and membrane modelling. She currently has 20 publications for the corresponding field.  She has been instrumental in developing new mathematical models and mentoring for undergraduate and postgraduate along with Ph.D. candidates. 

Jitendra Kumar

Jitendra Kumar

Bangalore Bio-innovation Centre

Dr Kumar holds a PhD degree in Biotechnology from Institute of Microbial Technology, Chandigarh, a prestigious national laboratory affiliated to Jawahar Lal Nehru University, New Delhi. Subsequently, he moved to University of Illinois at Chicago, where he worked on Leukemia. In the next stint as a Post Doc at Ohio State University, Columbus OHIO (USA) he worked on various cutting edge research projects related to chromatin remodeling, mitochondrial Phospholipase, its role in apoptosis and role of peroxides in inducing mitochondrial dysfunction in heart, liver and brain. He is the author on several internationally acclaimed peer reviewed papers. He holds an MBA degree from prestigious Fisher College of Business at Ohio State University. He also led a team from Ohio State University to contest International Entrepreneurship Challenge, 2008 organized by Materials Research Society. After returning from US, he joined as a Vice- President of Life Science Incubator at IKP Knowledge Park, Hyderabad where he was involved in actively mentoring incubatee companies, creating pipeline of entrepreneurs through innovative models of team building around the technologies, working with public R&D laboratories and Universities to create entrepreneurial models of commercialization. He brought many Government Grants and created a world class center for translational research in Life Sciences at IKP Knowledge Park. As the Director & Head of BBC his current focus is on Incubating Innovations is Agriculture, Food and Nutrition, Biofuel/Bio-energy and Pharma/Healthcare. He is working closely with Karnataka Biotechnology and Information Technology Services (KBITS), Department of IT, BT and S&T, Govt of Karnataka, to create a vibrant Life Sciences Innovation cluster in Bangalore.

Vidya Niranjan

Vidya Niranjan

R V College of Engineering, Department of Biotechnology

Dr. Vidya Niranjan, Professor, Department of Biotechnology, R. V. College of Engineering and Lead the Center of Excellence Computational Genomics with 26 years of industry, teaching and research experience and 12 years of exclusive teaching experience. As a part of her early career, she was involved transition from R&D to product manufacturing realm and consultant as Bioinformatics domain expert in IT industries. With the transition occurring from industry to research my area of expertise has Next Generation Sequencing, Drug discovery and application, Chemo-genomics and Molecular dynamics simulations. 

Collection Overview

The wide range of lipid types and dense protein content in cell membranes give them the adaptability necessary to play vital functions in cellular activity. The varied lateral structure that results from the compositional complexity of cellular membranes remains unclear. Over the past few decades, computational models, molecular dynamics simulations, and similar methods have significantly advanced our knowledge of the organizing principles of cell membranes. We see a shift from simulations of more basic membrane models to multicomponent systems, resulting in more realistic models of a broader range of cell types and organelles.

Alternatively, the demand for simulations of model membranes containing few components will continue. Rich and complex behavior can arise from simple systems. Simplified model bilayers can ideally be suited to combine experimental and computational data.

In the current special issue, we invite articles on methods for developing the Atomistic atom model (AA), Coarse-Grained model (CG), Supra-CG, and Implicit model. Realistic model, Skin model, and viral envelope using Martini, SDK, and ELBA will be appreciated. Methods developed using commercial, academic licensed and open-source software are welcome for the collection.

Articles

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
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Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

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2023

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