Download or read book Protein Aggregation at Solid liquid Interfaces a Monte Carlo Study with Explicit and Implicit Solvent Effects written by Rehman Fazeem and published by . This book was released on 2013 with total page 185 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Metropolis Monte Carlo (MC) simulations were performed with positively charged peptides in aqueous solution to study changes in peptide conformations at solid/liquid interface, and its effects on protein aggregation. Intermediate-resolution diblock model peptide, comprising of 10 units of ALA (non-polar) and LYS (polar) amino acid residues, was used for the simulations. In the first approach to modeling, solvent effects were considered explicitly. The explicit model was then used to study two peptide molecules, in helical structure, at solid/liquid interface. In order to increase the number of peptide molecules in the simulation box, with reduced computational cost, an implicit solvent model was developed with nonadditive hydrogen bonding and hydrophobic interaction potentials. The implicit model was used to simulate two peptides of helical structure at charged surfaces (to compare with the explicit model), and ten peptides of random coil structure with and without charged surfaces. The peptides were observed to always move towards the negatively charged surface and orient with residues of complimentary charge settling close to the surface, maximizing the electrostatic interactions. On reaching the surface, the peptides partially lose their secondary structure and clusters around the hydrophobic ends; this restructuring and dehydration of the peptides provides the entropic drive for adsorption and subsequent misfolding events. The 2- peptide-water-surface system in explicit model was also simulated with periodic switching of surface charge polarity, to induce a "shaking effect" in order to observe possible peptide configurational changes"--Abstract, page iii.
Download or read book Proteins at Solid Liquid Interfaces written by Philippe Déjardin and published by Springer. This book was released on 2006-08-23 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Monte Carlo Simulations of Protein Structure and Aggregation written by and published by . This book was released on 1996 with total page 76 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book A Monte Carlo Study of Aggregation Effects on Regression Parameter Estimates written by Edwin Kuh and published by . This book was released on 1977 with total page 32 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Monte Carlo Study of Colloidal Structure Formation at Fluid Interfaces written by Tim Meiler and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Studies of Solvent Effects by Reaction Field Theory and Monte Carlo Simulation written by Carmen Medina Llanos and published by . This book was released on 1988 with total page 40 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Monte Carlo Techniques with Application to Lattice Protein Aggregation written by Yuanwei Xu and published by . This book was released on 2016 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Monte Carlo Studies of the Effects of Protein Cholesterol and Curvature on Lipid Order Parameters written by Sheau-Lin Sharon Cherng and published by . This book was released on 1978 with total page 90 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Simulation of Explicit Solvent Effects on Protein Folding in Vitro and in Vivo written by Jeremy L. England and published by . This book was released on 2009 with total page 140 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 2008 with total page 906 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Reflectometric Studies of Protein Interactions at Solid liquid Interfaces written by Mirjam Oldenzeel and published by . This book was released on 1993 with total page 169 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory of Solutions written by John G. Kirkwood and published by CRC Press. This book was released on 2001-12 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Coarse Graining of Condensed Phase and Biomolecular Systems written by Gregory A. Voth and published by CRC Press. This book was released on 2008-09-22 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.
Download or read book Protein Ligand Interactions written by Mark A. Williams and published by Humana. This book was released on 2016-11-17 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins are the cell’s workers, their messengers and overseers. In these roles, proteins specifically bind small molecules, nucleic acid and other protein partners. Cellular systems are closely regulated and biologically significant changes in populations of particular protein complexes correspond to very small variations of their thermodynamics or kinetics of reaction. Interfering with the interactions of proteins is the dominant strategy in the development of new pharmaceuticals. Protein Ligand Interactions: Methods and Applications, Second Edition provides a complete introduction to common and emerging procedures for characterizing the interactions of individual proteins. From the initial discovery of natural substrates or potential drug leads, to the detailed quantitative understanding of the mechanism of interaction, all stages of the research process are covered with a focus on those techniques that are, or are anticipated to become, widely accessible and performable with mainstream commercial instrumentation. Written in the highly successful Methods in Molecular Biology series format, chapters contain introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and accessible, Protein Ligand Interactions: Methods and Applications, Second Edition serves as an ideal guide for researchers new to the field of biophysical characterization of protein interactions – whether they are beginning graduate students or experts in allied areas of molecular cell biology, microbiology, pharmacology, medicinal chemistry or structural biology.
Download or read book New Algorithms for Macromolecular Simulation written by Benedict Leimkuhler and published by Springer Science & Business Media. This book was released on 2006-03-22 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
Download or read book Biomembranes written by Robert B. Gennis and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up-to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research which is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive introductions to their fields. These should serve the needs of one semester or one quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses.
Download or read book An Introduction to Tissue Biomaterial Interactions written by Kay C. Dee and published by John Wiley & Sons. This book was released on 2003-04-14 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: An Introduction to Tissue-Biomaterial Interactions acquaints an undergraduate audience with the fundamental biological processes that influence these sophisticated, cutting-edge procedures. Chapters one through three provide more detail about the molecular-level events that happen at the tissue-implant interface, while chapters four through ten explore selected material, biological, and physiological consequences of these events. The importance of the body’s wound-healing response is emphasized throughout. Specific topics covered include:Structure and properties of biomaterials Proteins Protein-surface interactions Blood-biomaterial interactions Inflammation and infection The immune system Biomaterial responses to implantation Biomaterial surface engineering Intimal hyperplasia and osseointegration as examples of tissue-biomaterial interactions The text also provides extensive coverage of the three pertinent interfaces between the body and the biomaterial, between the body and the living cells, and between the cells and the biomaterial that are critical in the development of tissue-engineered products that incorporate living cells within a biomaterial matrix. Ideal for a one-semester, biomedical engineering course, An Introduction to Tissue-Biomaterial Interactions provides a solid framework for understanding today’s and tomorrow’s implantable biomedical devices.
