Proceedings of the 8th International Conference on Foundations of Computer-Aided Process Design

Proceedings of the 8th International Conference on Foundations of Computer-Aided Process Design
Author:
Publisher: Elsevier
Total Pages: 835
Release: 2014-07-14
Genre: Technology & Engineering
ISBN: 0444634428

This volume collects together the presentations at the Eighth International Conference on Foundations of Computer-Aided Process Design, FOCAPD-2014, an event that brings together researchers, educators, and practitioners to identify new challenges and opportunities for process and product design. The chemical industry is currently entering a new phase of rapid evolution. The availability of low-cost feedstocks from natural gas is causing renewed investment in basic chemicals in the OECD, while societal pressures for sustainability and energy security continue to be key drivers in technology development and product selection. This dynamic environment creates opportunities to launch new products and processes and to demonstrate new methodologies for innovation, synthesis and design. FOCAPD-2014 fosters constructive interaction among thought leaders from academia, industry, and government and provides a showcase for the latest research in product and process design. - Focuses exclusively on the fundamentals and applications of computer-aided design for the process industries. - Provides a fully archival and indexed record of the FOCAPD14 conference - Aligns the FOCAPD series with the ESCAPE and PSE series

Molecular Docking for Computer-Aided Drug Design

Molecular Docking for Computer-Aided Drug Design
Author: Mohane S. Coumar
Publisher: Academic Press
Total Pages: 522
Release: 2021-02-17
Genre: Medical
ISBN: 0128223138

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

Protein Interactions as Targets in Drug Discovery

Protein Interactions as Targets in Drug Discovery
Author: Rossen Donev
Publisher: Academic Press
Total Pages: 318
Release: 2020-04-18
Genre: Science
ISBN: 0128168471

Protein Interactions as Targets in Drug Discovery, Volume 121, is dedicated to the design of therapeutics, both experimental and computational, that target protein interactions. Chapters in this new release include Trends in structure based drug design with protein targets, From fragment- to peptide-protein interaction: addressing the structural basis of binding using Supervised Molecular Dynamics (SuMD), Protein-protein and protein-ligand interactions: identification of potential inhibitors through computational analysis, Aromatic-aromatic interactions in protein-drug and protein-protein interactions, Role of protein-protein interaction in allosteric drug design within the human methyltransferome, and much more. - Integrates experimental and computational methods for studying protein interactions and their modulation by potential therapeutics - Contains timely chapters written by well-renown authorities in their field - Covers information that is well supported by a number of high quality illustrations, figures and tables - Targets a very wide audience of specialists, researchers and students

Multiprotein Complexes

Multiprotein Complexes
Author: Arnaud Poterszman
Publisher: Humana
Total Pages: 340
Release: 2021-12-25
Genre: Science
ISBN: 9781071611289

This volume explores strategies and detailed protocols for the preparation of macromolecular complexes and their characterization in view of structural analysis. The chapters in this book are separated into three parts: Part One focuses on sample preparation, and covers strategies for recombinant expression of multiprotein complexes in prokaryotic and eukaryotic hosts, for genome engineering using the CRISPR/Cas9 system and for production of specific binders such as reformatted antibodies and artificial binding proteins. Part Two looks at the biophysical methods that can provide useful indicators for sample optimization, and often complement structural information obtained with core technologies for structure determination—x-ray crystallography and cryo-electron microscopy—by quantitative solution data. Part Three discusses the characterization of multiprotein complexes in a cellular environment using the latest technologies and in vivo approaches. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and authoritative, Multiprotein Complexes: Methods and Protocols is a valuable resource for structural and molecular biologists who need to prepare multi-components for their applications, and for other scientists working on macromolecular assemblies from other angles that need to know the latest approaches that the field has to offer.

Protein-Ligand Interactions

Protein-Ligand Interactions
Author: Mark A. Williams
Publisher: Humana
Total Pages: 0
Release: 2016-11-17
Genre: Science
ISBN: 9781493958733

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.

The BRICHOS Domain

The BRICHOS Domain
Author: Jenny Presto
Publisher: Springer
Total Pages: 0
Release: 2015-04-17
Genre: Science
ISBN: 9783319165639

This Brief summarizes the current research on the novel BRICHOS domain, which is a chaperone domain found in a variety of proteins and is shown to exhibit anti-amyloidogenic chaperone-like functions. The BRICHOS domain is defined from sequence similarities, lacks established physiological function(s) and is found about 10 distantly related pro-protein families, several of which are associated with human disease. In this work, the authors review the mechanism by which BRICHOS inhibits Aβ aggregation and examine recent results from in vivo experiments where BRICHOS inhibits Aβ aggregation and toxicity in Drosophila melanogaster. BRICHOS is one of nature ́s (more specific) ways to protect against fibril formation, and exploring the potential of using the BRICHOS domain in the fight against Alzeimer's Disease and other amyloid diseases seems highly relevant. This brief is useful for newcomers to this field or researchers in related fields wishing to gain a quick overview of the latest findings.