The Resource Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book)
Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book)
Resource Information
The item Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.This item is available to borrow from 1 library branch.
Resource Information
The item Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book) represents a specific, individual, material embodiment of a distinct intellectual or artistic creation found in University of Liverpool.
This item is available to borrow from 1 library branch.
- Summary
- The current volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions. It also covers research areas related to structures and properties of drugs (including the calculation and the design of new ones), and the development of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is emphasized. The book features computational techniques such as quantum-chemical and molecular dynamic approaches supplemented by a discussion on quantitative structure?activity relationships. The initial chapters describe the state-of-the art computational approaches for molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations. In addition, the results of the QSAR studies, which now are the most popular in predicting drugs? efficiency, are discussed. The last chapter reveals the current state of chemoinformatics and discusses new problems and experimental perspectives related to both chemical and biological characteristics of molecules
- Language
- eng
- Extent
- 1 online resource (xiii, 550 pages)
- Note
- Includes index
- Contents
-
- 1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems
- 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment
- 3 Formation of DNA Lesions, Its Prevention and Repair
- 4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design
- 5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings
- 6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules
- 7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design
- 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
- 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies
- 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling
- 11 Computational Toxicology in Drug Discovery: opportunities and limitations
- 12 Consensus Drug Design Using it Microcosm
- 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling
- 14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure
- 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking
- 16 Cheminformatics on Crossroad of Eras
- Isbn
- 9789401792561
- Label
- Application of computational techniques in pharmacy and medicine
- Title
- Application of computational techniques in pharmacy and medicine
- Statement of responsibility
- Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors
- Language
- eng
- Summary
- The current volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions. It also covers research areas related to structures and properties of drugs (including the calculation and the design of new ones), and the development of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is emphasized. The book features computational techniques such as quantum-chemical and molecular dynamic approaches supplemented by a discussion on quantitative structure?activity relationships. The initial chapters describe the state-of-the art computational approaches for molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations. In addition, the results of the QSAR studies, which now are the most popular in predicting drugs? efficiency, are discussed. The last chapter reveals the current state of chemoinformatics and discusses new problems and experimental perspectives related to both chemical and biological characteristics of molecules
- Cataloging source
- N$T
- Dewey number
- 615.1/900285
- Illustrations
- illustrations
- Index
- index present
- LC call number
- RS418
- LC item number
- .A67 2014
- Literary form
- non fiction
- Nature of contents
- dictionaries
- http://library.link/vocab/relatedWorkOrContributorName
-
- Gorb, Leonid
- Kuzʹmin, Victor
- Muratov, Eugene
- Series statement
- Challenges and Advances in Computational Chemistry and Physics
- Series volume
- volume 17
- http://library.link/vocab/subjectName
-
- Cheminformatics
- Pharmaceutical chemistry
- Drugs
- Label
- Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book)
- Note
- Includes index
- Antecedent source
- unknown
- Color
- multicolored
- Contents
- 1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems -- 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment -- 3 Formation of DNA Lesions, Its Prevention and Repair -- 4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design -- 5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings -- 6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules -- 7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design -- 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides -- 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies -- 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling -- 11 Computational Toxicology in Drug Discovery: opportunities and limitations -- 12 Consensus Drug Design Using it Microcosm -- 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling -- 14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure -- 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking -- 16 Cheminformatics on Crossroad of Eras
- Control code
- SPR894893485
- Dimensions
- unknown
- Extent
- 1 online resource (xiii, 550 pages)
- File format
- unknown
- Form of item
- online
- Isbn
- 9789401792561
- Level of compression
- unknown
- Other control number
- 10.1007/978-94-017-9257-8
- Other physical details
- illustrations (some color).
- Quality assurance targets
- not applicable
- Reformatting quality
- unknown
- Reproduction note
- Electronic resource.
- Sound
- unknown sound
- Specific material designation
- remote
- Label
- Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book)
- Note
- Includes index
- Antecedent source
- unknown
- Color
- multicolored
- Contents
- 1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems -- 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment -- 3 Formation of DNA Lesions, Its Prevention and Repair -- 4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design -- 5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings -- 6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules -- 7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design -- 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides -- 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies -- 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling -- 11 Computational Toxicology in Drug Discovery: opportunities and limitations -- 12 Consensus Drug Design Using it Microcosm -- 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling -- 14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure -- 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking -- 16 Cheminformatics on Crossroad of Eras
- Control code
- SPR894893485
- Dimensions
- unknown
- Extent
- 1 online resource (xiii, 550 pages)
- File format
- unknown
- Form of item
- online
- Isbn
- 9789401792561
- Level of compression
- unknown
- Other control number
- 10.1007/978-94-017-9257-8
- Other physical details
- illustrations (some color).
- Quality assurance targets
- not applicable
- Reformatting quality
- unknown
- Reproduction note
- Electronic resource.
- Sound
- unknown sound
- Specific material designation
- remote
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<div class="citation" vocab="http://schema.org/"><i class="fa fa-external-link-square fa-fw"></i> Data from <span resource="http://link.liverpool.ac.uk/portal/Application-of-computational-techniques-in/YDPUMhi3KpI/" typeof="Book http://bibfra.me/vocab/lite/Item"><span property="name http://bibfra.me/vocab/lite/label"><a href="http://link.liverpool.ac.uk/portal/Application-of-computational-techniques-in/YDPUMhi3KpI/">Application of computational techniques in pharmacy and medicine, Leonid Gorb, Victor Kuz'min, Eugene Muratov, editors, (electronic book)</a></span> - <span property="potentialAction" typeOf="OrganizeAction"><span property="agent" typeof="LibrarySystem http://library.link/vocab/LibrarySystem" resource="http://link.liverpool.ac.uk/"><span property="name http://bibfra.me/vocab/lite/label"><a property="url" href="http://link.liverpool.ac.uk/">University of Liverpool</a></span></span></span></span></div>
