Cargando…

Application of Computational Techniques in Pharmacy and Medicine

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...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Gorb, Leonid (Editor ), Kuz'min, Victor (Editor ), Muratov, Eugene (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht : Springer Netherlands : Imprint: Springer, 2014.
Edición:1st ed. 2014.
Colección:Challenges and Advances in Computational Chemistry and Physics, 17
Temas:
Acceso en línea:Texto Completo

MARC

LEADER 00000nam a22000005i 4500
001 978-94-017-9257-8
003 DE-He213
005 20220120183254.0
007 cr nn 008mamaa
008 141107s2014 ne | s |||| 0|eng d
020 |a 9789401792578  |9 978-94-017-9257-8 
024 7 |a 10.1007/978-94-017-9257-8  |2 doi 
050 4 |a QD450-801 
072 7 |a PNRP  |2 bicssc 
072 7 |a SCI013050  |2 bisacsh 
072 7 |a PNRP  |2 thema 
082 0 4 |a 541.2  |2 23 
245 1 0 |a Application of Computational Techniques in Pharmacy and Medicine  |h [electronic resource] /  |c edited by Leonid Gorb, Victor Kuz'min, Eugene Muratov. 
250 |a 1st ed. 2014. 
264 1 |a Dordrecht :  |b Springer Netherlands :  |b Imprint: Springer,  |c 2014. 
300 |a XIII, 550 p. 172 illus., 80 illus. in color.  |b online resource. 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
347 |a text file  |b PDF  |2 rda 
490 1 |a Challenges and Advances in Computational Chemistry and Physics,  |x 2542-4483 ;  |v 17 
505 0 |a 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. 
520 |a 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. 
650 0 |a Chemistry, Physical and theoretical. 
650 0 |a Medicinal chemistry. 
650 0 |a Pharmacy. 
650 0 |a Bioinformatics. 
650 0 |a Medicine-Research. 
650 0 |a Biology-Research. 
650 1 4 |a Theoretical Chemistry. 
650 2 4 |a Medicinal Chemistry. 
650 2 4 |a Pharmacy. 
650 2 4 |a Bioinformatics. 
650 2 4 |a Biomedical Research. 
700 1 |a Gorb, Leonid.  |e editor.  |4 edt  |4 http://id.loc.gov/vocabulary/relators/edt 
700 1 |a Kuz'min, Victor.  |e editor.  |4 edt  |4 http://id.loc.gov/vocabulary/relators/edt 
700 1 |a Muratov, Eugene.  |e editor.  |4 edt  |4 http://id.loc.gov/vocabulary/relators/edt 
710 2 |a SpringerLink (Online service) 
773 0 |t Springer Nature eBook 
776 0 8 |i Printed edition:  |z 9789401792561 
776 0 8 |i Printed edition:  |z 9789401792585 
776 0 8 |i Printed edition:  |z 9789402406962 
830 0 |a Challenges and Advances in Computational Chemistry and Physics,  |x 2542-4483 ;  |v 17 
856 4 0 |u https://doi.uam.elogim.com/10.1007/978-94-017-9257-8  |z Texto Completo 
912 |a ZDB-2-CMS 
912 |a ZDB-2-SXC 
950 |a Chemistry and Materials Science (SpringerNature-11644) 
950 |a Chemistry and Material Science (R0) (SpringerNature-43709)