A User's Guide to LIGAND PDF Download
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Author: Peter J. Munson
Publisher:
ISBN:
Category : Biochemistry
Languages : en
Pages : 122
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Author: Peter J. Munson
Publisher:
ISBN:
Category : Biochemistry
Languages : en
Pages : 122
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Book Description
Author: Sara E. Ingle
Publisher:
ISBN:
Category : Chemical equilibrium
Languages : en
Pages : 98
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Book Description
Author: Vishal Mevada
Publisher:
ISBN: 9781521894859
Category :
Languages : en
Pages : 54
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Book Description
Drug discovery is all about finding small molecules that interact in a desired way with larger molecules, namely proteins and other macromolecules in the human body. If the three-dimensional structures of both the small and large molecule are known, their interaction can be tested by computer simulation with a reasonable degree of accuracy. Alternatively, if active ligands are already available, molecular similarity searches can be used to find new molecules. This virtual screening can even be applied to compounds that have yet to be synthesized, as opposed to "real" screening that requires cost- and labor-intensive laboratory testing with previously synthesized drug compounds.Unique in its focus on the end user, this is a real "how to analyse Protein Ligand Bindind in computational chemistry. It is both a desktop reference and practical guide to virtual screening applications in drug discovery, offering a comprehensive and up-to-date overview. The book is totally associated with the three step simple tutorial for beginners to start his researchwork using Autodock vina.
Author:
Publisher:
ISBN:
Category : Psychopharmacology
Languages : en
Pages : 650
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Author:
Publisher:
ISBN:
Category : Government publications
Languages : en
Pages : 1120
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Author: Paul J. Marangos
Publisher: Elsevier
ISBN: 0323152805
Category : Science
Languages : en
Pages : 384
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Book Description
Brain Receptor Methodologies, Part A, General Methods and Concepts: Amines and Acetylcholine provides information pertinent to neurotransmitter and neuromodulator receptors in brain. This book explores the methodologies that can used to address several basic and clinical problems. Organized into two sections encompassing 18 chapters, this book starts with an overview of the receptor concept, which can be validated from indirect evidence obtained in studies of the quantitative aspects of drug antagonism. This text then examines the radioligand–receptor binding interactions. Other chapters consider immunocytochemistry, which has a primary role in determining the precise distribution of regulatory peptides to neural and endocrine elements of the diffuse neuroendocrine system. The final chapter discusses the use of the radioligand binding procedure for the study of muscarinic receptors, which has expanded the area of muscarinic receptor pharmacology. Biochemists, pharmacologists, physiologists, and researchers engaged in the fields of neurobiology and neuroscience will find this book extremely useful.
Author: Celerino Abad-Zapatero
Publisher: Academic Press
ISBN: 0124046827
Category : Science
Languages : en
Pages : 179
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Book Description
The purpose of Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm is to introduce in a concise and self-contained form the concepts, ideas, applications and examples of efficiency-driven drug discovery to the biomedical community at large. The book emphasizes the use of 'new variables' and more objective numerical methods to drive drug discovery in an encompassing way. These 'new variables' are based on Ligand Efficiency Indices (LEIs) formulated in a way that permits mapping Chemico-Biological Space (CBS) in an Atlas-like representation. It provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery. This book emphasizes the use of a graphical representation and objective numerical methods to drive drug discovery more effectively. It presents the definition of LEIs and the corresponding efficiency planes within an atlas-like environment to provide a robust graphical and numerical framework for medicinal chemists and drug-discoverers. Provides a practical and timely discussion of the concepts, ideas, applications and examples of efficiency-driven drug discovery Emphasizes the use of ‘new variables’ and more objective numerical methods to drive quicker and more effective drug discovery Presents the definition of Ligand Efficiency Indices (LEIs) and the corresponding efficiency planes as key concepts to provide a graphical and numerical framework
Author: United States. Congress. Senate. Committee on Governmental Affairs. Permanent Subcommittee on Investigations
Publisher:
ISBN:
Category : Emergency medical services
Languages : en
Pages : 748
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Author: Mark S. Gordon
Publisher: John Wiley & Sons
ISBN: 1119129265
Category : Science
Languages : en
Pages : 499
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Book Description
Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.
Author: Sara E. Ingle
Publisher:
ISBN:
Category : Chemical equilibrium
Languages : en
Pages : 68
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Book Description
