01457nam a2200193Ia 4500 CTU_238360 210402s9999 xx 000 0 und d 615.19 C738 Computer-aided drug discovery Edited by Wei Zhang New York Springer 2016 This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Drug development,Computer-Aided Design.,Phát triển thuốc,Máy tính hỗ trợ thiết kế Data processing.,Xử lý dữu liệu Tuyến Trung tâm Học liệu Trường Đại học Cần Thơ