This book primarily discusses the methods and techniques of virtual screening. CoMFA, Pharmacophore modeling, CoMSIA, QSAR analysis, molecular dynamics simulations and docking have been started to be employed at variable degrees in virtual screening for the purpose of uncovering novel bioactive hits. However, implementation of these methods needs integrative knowledge and experience. The book elucidates established methodologies and novel trends in this field with the aim of facilitating their use in drug discovery.
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This book primarily discusses the methods and techniques of virtual screening. CoMFA, Pharmacophore modeling, CoMSIA, QSAR analysis, molecular dynamics simulations and docking have been started to be employed at variable degrees in virtual screening for the purpose of uncovering novel bioactive hits. However, implementation of these methods needs integrative knowledge and experience. The book elucidates established methodologies and novel trends in this field with the aim of facilitating their use in drug discovery.
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