computational approaches for studying enzyme mechanism part a 577 methods in enzymology

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Computational Approaches For Studying Enzyme Mechanism

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ISBN : 9780128053638
Genre : Medical
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Computational Approaches for Studying Enzyme Mechanism Part A, is the first of two volumes in the Methods in Enzymology series, focusses on computational approaches for studying enzyme mechanism. The serial achieves the critically acclaimed gold standard of laboratory practices and remains one of the most highly respected publications in the molecular biosciences. Each volume is eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with over 550 volumes, the series remains a prominent and essential publication for researchers in all fields of life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, and genetics to name a few. Focuses on computational approaches for studying enzyme mechanism Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers research methods in intermediate filament associated proteins, and contains sections on such topics as lamin-associated proteins, intermediate filament-associated proteins and plakin, and other cytoskeletal cross-linkers

Quantum Mechanical Molecular Mechanical Approaches For The Investigation Of Chemical Systems Recent Developments And Advanced Applications

Author : Thomas S. Hofer
ISBN : 9782889456260
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The QM/MM method, short for quantum mechanical/molecular mechanical, is a highly versatile approach for the study of chemical phenomena, combining the accuracy of quantum chemistry to describe the region of interest with the efficiency of molecular mechanical potentials to represent the remaining part of the system. Originally conceived in the 1970s by the influential work of the the Nobel laureates Martin Karplus, Michael Levitt and Arieh Warshel, QM/MM techniques have evolved into one of the most accurate and general approaches to investigate the properties of chemical systems via computational methods. Whereas the first applications have been focused on studies of organic and biomolecular systems, a large variety of QM/MM implementations have been developed over the last decades, extending the range of applicability to address research questions relevant for both solution and solid-state chemistry as well. Despite approaching their 50th anniversary in 2022, the formulation of improved QM/MM methods is still an active field of research, with the aim to (i) extend the applicability to address an even broader range of research questions in chemistry and related disciplines, and (ii) further push the accuracy achieved in the QM/MM description beyond that of established formulations. While being a highly successful approach on its own, the combination of the QM/MM strategy with other established theoretical techniques greatly extends the capabilities of the computational approaches. For instance the integration of a suitable QM/MM technique into the highly successful Monte-Carlo and molecular dynamics simulation protocols enables the description of the chemical systems on the basis of an ensemble that is in part constructed on a quantum-mechanical basis. This eBook presents the contributions of a recent Research Topic published in Frontiers in Chemistry, that highlight novel approaches as well as advanced applications of QM/MM method to a broad variety of targets. In total 2 review articles and 10 original research contributions from 48 authors are presented, covering 12 different countries on four continents. The range of research questions addressed by the individual contributions provide a lucid overview on the versatility of the QM/MM method, and demonstrate the general applicability and accuracy that can be achieved for different problems in chemical sciences. Together with the development of improved algorithms to enhance the capabilities of quantum chemical methods and the continuous advancement in the capacities of computational resources, it can be expected that the impact of QM/MM methods in chemical sciences will be further increased already in the near future.

Computational Methods For Understanding Riboswitches

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ISBN : 9780128016183
Genre : Science
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This new volume of Methods in Enzymology continues the legacy of this premier serial with quality chapters authored by leaders in the field. This volume covers computational prediction RNA structure and dynamics, including such topics as computational modeling of RNA secondary and tertiary structures, riboswitch dynamics, and ion-RNA, ligand-RNA and DNA-RNA interactions. Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers computational methods and applications in RNA structure and dynamics Contains chapters with emerging topics such as RNA structure prediction, riboswitch dynamics and thermodynamics, and effects of ions and ligands.

Enzyme Kinetics Catalysis And Control

Author : Daniel L. Purich
ISBN : 9780123809254
Genre : Science
File Size : 88. 2 MB
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Far more than a comprehensive treatise on initial-rate and fast-reaction kinetics, this one-of-a-kind desk reference places enzyme science in the fuller context of the organic, inorganic, and physical chemical processes occurring within enzyme active sites. Drawing on 2600 references, Enzyme Kinetics: Catalysis & Control develops all the kinetic tools needed to define enzyme catalysis, spanning the entire spectrum (from the basics of chemical kinetics and practical advice on rate measurement, to the very latest work on single-molecule kinetics and mechanoenzyme force generation), while also focusing on the persuasive power of kinetic isotope effects, the design of high-potency drugs, and the behavior of regulatory enzymes. Historical analysis of kinetic principles including advanced enzyme science Provides both theoretical and practical measurements tools Coverage of single molecular kinetics Examination of force generation mechanisms Discussion of organic and inorganic enzyme reactions

Brain Tumors

Author : Francis Ali-Osman
ISBN : 9781592598434
Genre : Medical
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Exciting new developments and discoveries of the last two decades are beginning to shed light on the complex biology of brain tumors and are advancing our understa- ing of the cellular and molecular processes involved in their initiation, progression, and clinical and biological behavior. The disease process in brain tumors is quite complex and the resulting tumors are characterized by a high degree of biological and clinical diversity. Thus, despite the advances of the last two decades, prognosis for patients with malignant brain tumors remains abysmal. Significant progress in the diagnosis, treatment and, ultimately, prevention of these tumors will require both the timely h- nessing of the advances in basic and clinical brain tumor research, and a continuing concerted effort at increasing our understanding of brain tumor biology, in particular, the molecular genetic changes and perturbations of cellular pathways involved in brain oncogenesis and which drive the biological and clinical behavior of the tumors. Brain tumor diagnosis and prognosis, which is still largely based on histopathology and other clinical criteria, will, in the future, acquire a significant molecular component, with the incorporation of knowledge of genes that are mutated, over-expressed, deleted, silenced, or functionally altered in the tumors. Treatment strategies for brain tumors, rather than being empirical, will be rationally developed based on an understanding of the cellular and molecular mechanisms and targets that have been activated, suppressed, or otherwise altered.

Annual Report

Author : Robert A. Welch Foundation
ISBN : UVA:X002304267
Genre : Chemistry
File Size : 83. 68 MB
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Annual Meeting

Author : American Crystallographic Association. Meeting
ISBN : PSU:000031069731
Genre : Crystallography
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Wiley Encyclopedia Of Chemical Biology

Author : Tadhg P. Begley
ISBN : STANFORD:36105210630856
Genre : Science
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The first major reference at the interface of chemistry, biology, and medicine Chemical biology is a rapidly developing field that uses the principles, tools, and language of chemistry to answer important questions in the life sciences. It has enabled researchers to gather critical information about the molecular biology of the cell and is the fundamental science of drug discovery, playing a key role in the development of novel agents for the prevention, diagnosis, and treatment of disease. Now students and researchers across the range of disciplines that use chemical biology techniques have a single resource that encapsulates what is known in the field. It is an excellent place to begin any chemical biology investigation. Major topics addressed in the encyclopedia include: Applications of chemical biology Biomolecules within the cell Chemical views of biology Chemistry of biological processes and systems Synthetic molecules as tools for chemical biology Technologies and techniques in chemical biology Some 300 articles range from pure basic research to areas that have immediate applications in fields such as drug discovery, sensor technology, and catalysis. Novices in the field can turn to articles that introduce them to the basics, whereas experienced researchers have access to articles exploring the cutting edge of the science. Each article ends with a list of references to facilitate further investigation. With contributions from leading researchers and pioneers in the field, the Wiley Encyclopedia of Chemical Biology builds on Wiley's unparalleled reputation for helping students and researchers understand the crucial role of chemistry and chemical techniques in the life sciences.

Directory Of Graduate Research

Author : American Chemical Society. Committee on Professional Training
ISBN : UCSD:31822036045805
Genre : Biochemistry
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Faculties, publications and doctoral theses in departments or divisions of chemistry, chemical engineering, biochemistry and pharmaceutical and/or medicinal chemistry at universities in the United States and Canada.

Dissertation Abstracts International

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ISBN : STANFORD:36105131546371
Genre : Science
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