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Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery

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Siavoush Dastmalchi (Tabriz University of Medical Sciences, Iran), Maryam HamzehMivehroud (Tabriz University of Medical Sciences, Iran) and Babak Sokouti (Tabriz University of Medical Sciences, Iran)

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Projected Release Date: May, 2016. Copyright © 2016. 358 pages.

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Free Lifetim e E-Access w ith Hardcover Purchase ISBN13: 9781522501152 | ISBN10: 1522501150 | EISBN13: 9781522501169 | Cite Book DOI: 10.4018/978-1-5225-0115-2 Fav orite

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Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.

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Tentative Table of Contents

Topics Covered Docking Methodologies Docking Search Algorithms Enzyme-Ligand Interactions

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The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development.

Available In Advances in Medical Technologies and Clinical Practice

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Related Books Applied Case Studies and Solutions in... © 2016, 327 pp.

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Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery Chapter 1 Molecular docking at a glance Maryam Hamzeh-Mivehroud, Biotechnology Research Center & School of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran Babak Sokouti, Biotechnology Research Center, Tabriz University of Medical Sciences, Tabriz, Iran Siavoush Dastmalchi, Biotechnology Research Center & School of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran

Chapter 2 Methods for docking and drug designing: Docking methods AA T Naqvi, Jamia Millia Islamia, New Delhi, India Md Imtaiyaz Hassan, Jamia Millia Islamia, New Delhi, India

Chapter 3 Scoring functions in docking experiments Pravin Ambure, Jadavpur University, India Kunal Roy, Jadavpur University, India

Chapter 4 The comparison of docking search algorithms and scoring functions: an overview and case studies Marjana Novič, National Institute of Chemistry, Slovenia Tjaša Tibaut, National Institute of Chemistry, Slovenia Marko Anderluh, Faculty of Pharmacy, University of Ljubljana, Slovenia Jure Borišek, National Institute of Chemistry, Slovenia Tihomir Tomašič, Faculty of Pharmacy, University of Ljubljana, Slovenia

Chapter 5 Protein Ligand Interaction Fingerprints Ali HajEbrahimi, Shiraz University of Medical Sciences, Shiraz, Iran Hamioreza Ghafouri, Shiraz University of Medical Sciences, Shiraz, Iran Mohsen Ranjbar, Shiraz University of Medical Sciences, Shiraz, Iran Amirhossein Sakhteman, Shiraz University of Medical Sciences, Shiraz, Iran

Chapter 6 Different types of molecular docking based on variations of interacting molecules: Variations of molecular docking Amit Das, Department of Biochemistry and Biophysics, University of Kalyani, India Simanti Bhattacharya, Department of Biochemistry and Biophysics, University of Kalyani, India

Chapter 7 Protein-Protein docking: Are we there yet? Horia Jalily Hasani, Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, Canada Khaled Barakat, Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, Canada

Chapter 8 Protein-ligand docking methodologies and its application in drug discovery Sanchaita Rajkhowa, Department of Chemical Sciences, Tezpur University, India Ramesh C. Deka, Department of Chemical Sciences, Tezpur University, India

Chapter 9 Scoring Functions of Protein-ligand Interactions Zhiqiang Yan, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, China Jin Wang, Chemistry Building, Stony Brook University, United States

Chapter 10 Molecular docking technique to understand enzyme-ligand interactions Kailas Dashrath Sonawane, Department of Biochemistry, Shivaji University, India Maruti Jayram Dhanavade, Department of Microbiology, Shivaji university, India Chapter 11 Advancements in Docking Methodologies Vijay Kumar Srivastav, Department of Pharmacy, Shri Govindram Seksaria Institute of Technology and Science, India Vineet Singh, Department of Pharmacy, Shri Govindram Seksaria Institute of Technology and Science, India Meena Tiwari, Department of Pharmacy, Shri Govindram Seksaria Institute of Technology and Science, India

Chapter 12 Docking Methodologies and Recent Advances Ashwani Kumar, Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science & Technology, India Ruchika Goyal, Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science & Technology, India Sandeep Jain, Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science & Technology, India

Chapter 13 Current trends in Docking Methodologies Shubhandra Tripathi, Central Institute of Medicinal and Aromatic Plants, CSIR-CIMAP, India Akhil Kumar, Central Institute of Medicinal and Aromatic Plants, CSIR-CIMAP, India Amandeep Kaur Kahlon, Central Institute of Medicinal and Aromatic Plants, CSIR-CIMA, India Ashok Sharma, Central Institute of Medicinal and Aromatic Plants, CSIR-CIMA, India

Chapter 14 Protein Structure Prediction Using Homology Modeling: Methods and Tools Akanksha Gupta, Netaji Subhas Institute of Technology, India Pallavi Mohanty, Netaji Subhas Institute of Technology, India Sonika Bhatnagar, Netaji Subhas Institute of Technology, India Chapter 15 Online Molecular Docking Resources Adriana Isvoran, West University of Timisoara, Romania