{"product_id":"computational-drug-discovery-and-design-mohini-gore-9781493977550","title":"Computational Drug Discovery and Design","description":"\u003cp\u003e1. Computer-Aided Drug Design - An Overview\u003c\/p\u003e \u003cp\u003eAlan Talevi\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e 2. Prediction of Human Drug Targets and their Interactions Using Machine Learning Methods: Current and Future Perspectives\u003cp\u003e\u003c\/p\u003e \u003cp\u003eAbhigyan Nath, Priyanka Kumari, and Radha Chaube\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e3. Practices in Molecular Docking and Structure-based Virtual Screening\u003c\/p\u003e \u003cp\u003eRicardo N. dos Santos, Leonardo G. Ferreira, and Adriano D. Andricopulo\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e4. Phylogenetic and Conservation Based Approaches to Predict Protein Functional Sites\u003c\/p\u003e \u003cp\u003eHeval Atas, Nurcan Tuncbag, and Tunca Doğan\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e5.\u003ci\u003e De novo\u003c\/i\u003e design of Ligands using Computational Methods\u003c\/p\u003e \u003cp\u003eVenkatesan Suryanarayanan, Umesh Panwar, Ishwar Chandra, and Sanjeev Kumar Singh\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e 6. Molecular Dynamics Simulation and the Prediction of Druggable Binding Sites\u003cp\u003e\u003c\/p\u003e \u003cp\u003eTianhua Feng and Khaled Barakat\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e 7. Virtual Ligand Screening using PL-PatchSurfer2, a Molecular Surface-based Protein-ligand Docking Method\u003cp\u003e\u003c\/p\u003e \u003cp\u003eWoong-Hee Shin and Daisuke Kihara\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e8. Fragment Based Ligand Designing\u003c\/p\u003e \u003cp\u003eShashank P. Katiyar, Vidhi Malik, Anjani Kumari, Kamya Singh, and Durai Sundar\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e 9. Molecular Dynamics as a Tool for Virtual Ligand Screening\u003cp\u003e\u003c\/p\u003e \u003cp\u003eGr馮ory Menchon, Laurent Maveyraud, and Georges Czaplicki\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e 10. Building Molecular Interaction Networks from Microarray Data for Drug Target Screening\u003cp\u003e\u003c\/p\u003e \u003cp\u003eSze Chung Yuen, Hongmei Zhu, and Siu-wai Leung\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e11. Absolute Alchemical Free Energy Calculations for Ligand Binding\u003c\/p\u003e Matteo Aldeghi, Joseph P. Bluck, and Philip C. Biggin\u003cp\u003e\u003c\/p\u003e 12. Evaluation of Protein-ligand Docking by Cyscore \u003cp\u003eYang Cao, Wentao Dai, and Zhichao Miao\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e13. Molecular Dynamics Simulations of Protein-drug Complexes: A Computational Protocol for Investigating the Interactions of Small-Molecule Therapeutics with Biological Targets and Biosensors\u003c\/p\u003e \u003cp\u003eJodi A. Hadden and Juan R. Perilla\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e14. Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand\u003c\/p\u003e \u003cp\u003eDouglas E. V. Pires, Lisa M. Kaminskas, and David B. Ascher\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e15. Protein-protein Docking in Drug Design and Discovery\u003c\/p\u003e \u003cp\u003eAgnieszka A. Kaczor, Damian Bartuzi, Tomasz Maciej Stępniewski, and Dariusz Matosiuk, and Jana Selent\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e16. Automated Inference of Chemical Discriminants of Biological Activity\u003c\/p\u003e \u003cp\u003eSebastian Raschka, Anne M. Scott, Mar Huertas, Weiming Li, and Leslie A. Kuhn\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e17. Computational Exploration of Conformational Transitions in Protein Drug Targets\u003c\/p\u003e \u003cp\u003eBenjamin P. Cossins and Alastair D. G. Lawson, Jiye Shi\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e18. Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design\u003c\/p\u003e \u003cp\u003eLouis-Philippe Morency, Francis Gaudreault, and Rafael Najmanovich\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e19. Calculation of Thermodynamic Properties of Bound Water Molecules\u003c\/p\u003e \u003cp\u003eYing Yang, Amr Abdallah, and Markus A. Lill\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e20. Enhanced Molecular Dynamics Methods Applied to Drug Design Projects \u003c\/p\u003e \u003cp\u003eSonia Ziada, Abdennour Braka, Julien Diharce, Samia Aci-S鐵he, and Pascal Bonnet\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e21. AGGRESCAN3D: Towards the Prediction of the Aggregation Propensities of Protein Structures\u003c\/p\u003e \u003cp\u003eJordi Pujols, Samuel Pe-D僘z, and Salvador Ventura\u003csup\u003e\u003c\/sup\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e22. Computational Analysis of Solvent Inclusion in Docking Studies of Protein-glycosaminoglycan Systems\u003c\/p\u003e Sergey A. Samsonov\u003cp\u003e\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e23. Understanding G Protein-Coupled Receptor Allostery \u003ci\u003evia\u003c\/i\u003e Molecular Dynamics Simulations: Implications for Drug Discovery\u003c\/p\u003e \u003cp\u003eShaherin Basith, Yoonji Lee, and Sun Choi\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e \u003cp\u003e24. Identification of Potential Microrna Biomarkers by Meta-analysis\u003c\/p\u003e \u003cp\u003eHongmei Zhu and Siu-wai Leung\u003c\/p\u003e \u003cp\u003e \u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Mohini Gore\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1493977555\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781493977550\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Humana\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 03\/29\/2018\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 488\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Hardcover\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 2.38lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 10.00h x 7.00w x 1.06d","brand":"Mohini Gore","offers":[{"title":"Hardcover","offer_id":44124085059839,"sku":"9781493977550","price":139.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_d616fe8d-d5ba-40a8-885c-033769d5c2ea.jpg?v=1687434655","url":"https:\/\/www.whiterainbookhouse.com\/products\/computational-drug-discovery-and-design-mohini-gore-9781493977550","provider":"WR Book House","version":"1.0","type":"link"}