Application of Computational Techniques in Pharmacy and Medicine
by
 
Gorb, Leonid. editor.

Title
Application of Computational Techniques in Pharmacy and Medicine

Author
Gorb, Leonid. editor.

ISBN
9789401792578

Edition
1st ed. 2014.

Physical Description
XIII, 550 p. 172 illus., 80 illus. in color. online resource.

Series
Challenges and Advances in Computational Chemistry and Physics, 17

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.

Subject Term
Chemistry, Physical and theoretical.
 
Medicinal chemistry.
 
Pharmacy.
 
Bioinformatics.
 
Medicine -- Research.
 
Biology -- Research.
 
Theoretical Chemistry.
 
Biomedical Research.

Added Author
Gorb, Leonid.
 
Kuz'min, Victor.
 
Muratov, Eugene.

Added Corporate Author
SpringerLink (Online service)

Electronic Access
https://doi.org/10.1007/978-94-017-9257-8


LibraryMaterial TypeItem BarcodeShelf Number[[missing key: search.ChildField.HOLDING]]Status
Online LibraryE-Book530873-1001ONLINEElektronik Kütüphane