Application of Computational Techniques in Pharmacy and Medicine

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Gorb, Leonid (Επιμελητής έκδοσης), Kuz'min, Victor (Επιμελητής έκδοσης), Muratov, Eugene (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands : Imprint: Springer, 2014.
• Σειρά: Challenges and Advances in Computational Chemistry and Physics ; 17
• Θέματα: Chemistry.; Pharmacy.; Chemistry, Physical and theoretical.; Medicinal chemistry.; Bioinformatics.; Theoretical and Computational Chemistry.; Medicinal Chemistry.; Biomedicine general.

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...

Πίνακας περιεχομένων:

• 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.