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Physico-chemical and Computational Approaches to Drug Discovery
This title covers a wide range of topics relevant to the development of drugs. It provides a comprehensive description of the major methodological strategies available for rational drug discovery.
Biomolecular Simulations in Structure-Based Drug Discovery
A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their curre...
Molecular Dynamics and Machine Learning in Drug Discovery
Dr. Sergio Decherchi and Dr. Andrea Cavalli are co-founders of BiKi Technologies s.r.l. - a company that commercializes a Molecular Dynamics-based software suite for drug discovery. All other Topic Editors declare no competing interests with regards to the Research Topic subject.
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Biomolecular Simulations
This volume explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical molecular dynamics (MD) simulations at atomistic, coarse-grained, and quantum/ab-initio levels. The chapters in this book are divided into four parts: Part One looks at recent techniques used in the development of physic-chemical models of proteins, small molecules, nucleic acids, and lipids; Part Two discusses enhanced sampling and free-energy calculations; Part Three talks about integrative computational and experimental approaches for biomolecular simulations; and Part Four focuses on analyzing, visualizing, and comparing biomolecular ...
L'Artigianello
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Monastic Women and Religious Orders in Late Medieval Bologna
Sherri Franks Johnson explores the roles of religious women in the changing ecclesiastical and civic structure of late medieval Bologna, demonstrating how convents negotiated a place in their urban context and in the church at large. During this period Bologna was the most important city in the Papal States after Rome. Using archival records from nunneries in the city, Johnson argues that communities of religious women varied in the extent to which they sought official recognition from the male authorities of religious orders. While some nunneries felt that it was important to their religious life to gain recognition from monks and friars, others were content to remain local and autonomous. In a period often described as an era of decline and the marginalization of religious women, Johnson shows instead that they saw themselves as active participants in their religious orders, in the wider church and in their local communities.
