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Rational Drug Design: Methods and Protocols
Hardcover
Series: Methods in Molecular Biology, Book 1824
ISBN13: 9781493986293
Publisher: Humana Pr
Published: Jul 24 2018
Pages: 465
Weight: 2.30
Height: 1.06 Width: 7.00 Depth: 10.00
Language: English
1. Conformational Properties of hIAPP22-29 (NFGAILSS) and Rational Drug Design
Panagiotis Lagarias, Youness Elkhou, Jason Vedad, Adam Profit, Tahsin F. Kellici, Antonios Kolocouris, Ruel Desamero, and Thomas Mavromoustakos
2. Electronic and Electrostatic Approaches to the Development of Peptide-based Inhibitors of Amylin Aggregation
Adam A. Profit and Ruel Z. B. Desamero
3. In Silico Drug Design: Applications of non-peptide mimetics towards the Immunotherapy of Multiple Sclerosis
Haralambos Tzoupis and Theodore Tselios
4. Binding Moiety Mapping by Saturation Transfer Difference NMR
Jeffrey R. Brender, Janarthanan Krishnamoorthy, Anirban Ghosh, and Anirban Bhunia
5. Protein Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection
Flavio Ballante
6. Rational Drug Design using Integrative Structural BiologyMagda S. Chegkazi, Michael Mamais, Anastasia I. Sotiropoulou, and Evangelia D. Chrysina
7. Enalos+Knime Nodes: New Cheminformatics Tools for Drug Discovery
Dimitra-Danai Varsou, Spyridon Nikolakopoulos, Andreas Tsoumanis, Georgia Melagraki, and Antreas Afantitis
8. Bioguided Design of Trypanosomicidal Compounds: A Successful Strategy in Drug Discovery
Guzmán Ignacio Álvarez Touron
9. A Hybrid Virtual Screening Protocol Based on Binding Mode Similarity
Andrew Anighoro and Jürgen Bajorath
10. Single Step Determination of Unlabelled Compound Kinetics Using a Competition Association Binding Method Employing Time-resolved FRET
David A. Sykes and Steven J. Charlton
11. Dynamic Undocking: A Novel Method for Structure-based Drug DiscoveryMaciej Majewski, Sergio Ruiz-Carmona, and Xavier Barril
12. The impact of Lipophilicity in Drug Discovery - Rapid Measurements by Means of Reversed Phase HPLC
Constantinos Giaginis, Fotios Tsopelas, and Anna Tsantili-Kakoulidou
13. Exploring Polypharmacology in Drug Design
Patricia Saenz-Méndez and Leif A. Eriksson
14. Development of Nuclear Receptor Modulators
Simone Schierle and Daniel Merk
15. In silico Screening of Compound Libraries using a Consensus of Orthogonal Methodologies
Vassilios Myrianthopoulos, Georgios Lamprinidis and Emmanuel Mikros
16. Insights in Organometallic Synthesis of Various Adamantane Derivatives with Sigma Receptor (σR) Binding Affinity and Antiproliferative / Anticancer Activity
Ioannis Papanastasiou
17. Supervised Molecular Dynamics (SuMD) Approaches in Drug Design
Davide Sabbadin, Veronica Salmaso, Mattia Sturlese, and Stefano Moro
18. Lead Identification through the Synergistic Action of Biomolecular NMR and in Silico Methodologies
Konstantinos D. Marousis, Aikaterini C. Tsika, Maria Birkou, Minos-Timotheos Matsoukas, and Georgios A. Spyroulias
19. The use of Dynamic Pharmacophore in Computer Aided Hit Discovery: A Case Study
Ugo Perricone, Marcus Wieder, Thomas Seidel, Thierry Langer, and Alessandro Padova
20. Rational Design of MAGL inhibitors
Carlotta Granchi, Flavio Rizzolio, Isabella Caligiuri, Marco Macchia, Adriano Martinelli, Filippo Minutolo, and Tiziano Tuccinardi
21. Application of Virtual Screening Approaches for the Identification of Small Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1
Chiara Luise and Dina Robaa
22. Designing Natural Product Hybrids Bearing Triple Antiplatelet Profile and Enhanced Human Plasma Stability
Antonis Tsiailanis, Maria Tsoumani, Evgenios Stylos, Maria V. Chatziathanasiadou, Tahsin Kellici, Thomas Mavromoustakos, Alexandros D. Tselepis, and Andreas G. Tzakos
23. Pharmacophore Generation and 3D-QSAR Model Development using PHASE
Eleni Vrontaki and Antonios Kolokouris
24. Design of Drugs by Filtering
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