Methods And Algorithms For Molecular Docking Based Drug Design And Discovery


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


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

Author: Siavoush Dastmalchi

language: en

Publisher: Medical Information Science Reference

Release Date: 2016


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Investigates the evolution of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting theoretical backgrounds and emergent research in the area of computer-assisted drug design, this publication is a pivotal source for professionals, researchers, medical chemists, pharmaceutical experts, and students.

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


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

Author: Dastmalchi, Siavoush

language: en

Publisher: IGI Global

Release Date: 2016-05-03


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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. 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.

Drug Discovery and Development


Drug Discovery and Development

Author: Vishwanath Gaitonde

language: en

Publisher: BoD – Books on Demand

Release Date: 2020-03-11


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The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.