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Cheminformatics: At the crossroad of eras

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Cover of 'Cheminformatics: At the crossroad of eras'

Table of Contents

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    Book Overview
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    Chapter 1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems
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    Chapter 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment
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    Chapter 3 Formation of DNA Lesions, its Prevention and Repair
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    Chapter 4 DNA Dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design
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    Chapter 5 Molecular Structures, Relative Stability, and Proton Affinities of Nucleotides: Broad View and Novel Findings
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    Chapter 6 Quantum Chemical Approaches in Modeling the Structure of DNA Quadruplexes and Their Interaction with Metal Ions and Small Molecules
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    Chapter 7 Density Functional Theory Calculations of Enzyme–Inhibitor Interactions in Medicinal Chemistry and Drug Design
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    Chapter 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
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    Chapter 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies
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    Chapter 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling
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    Chapter 11 Computational Toxicology in Drug Discovery: Opportunities and Limitations
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    Chapter 12 Consensus Drug Design Using IT Microcosm
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    Chapter 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling
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    Chapter 14 Quantitative Structure-Property Relationship Analysis of Drugs’ Pharmacokinetics Within the Framework of Biopharmaceutics Classification System Using Simplex Representation of Molecular Structure
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    Chapter 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking
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    Chapter 16 Cheminformatics: At the Crossroad of Eras
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Cheminformatics: At the crossroad of eras
Published by
Springer Netherlands, November 2014
DOI 10.1007/978-94-017-9257-8
978-9-40-179256-1, 978-9-40-179257-8

Denis Fourches


Gorb, Leonid, Kuz'min, Victor, Muratov, Eugene

Twitter Demographics

The data shown below were collected from the profiles of 2 tweeters who shared this research output. Click here to find out more about how the information was compiled.

Mendeley readers

The data shown below were compiled from readership statistics for 43 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Netherlands 1 2%
Germany 1 2%
Brazil 1 2%
Unknown 40 93%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 10 23%
Researcher 8 19%
Student > Master 5 12%
Professor 4 9%
Student > Bachelor 4 9%
Other 7 16%
Unknown 5 12%
Readers by discipline Count As %
Chemistry 15 35%
Biochemistry, Genetics and Molecular Biology 4 9%
Physics and Astronomy 3 7%
Engineering 2 5%
Medicine and Dentistry 2 5%
Other 9 21%
Unknown 8 19%