Rational Drug Design
Donald G. Truhlar · W. Jeffrey Howe · Anthony J. Hopfinger · Jeff Blaney · Richard E. Dammkoehler
Des 2012 · The IMA Volumes in Mathematics and its Applications Buku 108 · Springer Science & Business Media
eBook
213
Halaman
reportRating dan ulasan tidak diverifikasi Pelajari Lebih Lanjut
Tentang eBook ini
Drug research and discovery are of critical importance in human health care. Computational approaches for drug lead discovery and optimization have proven successful in many recent research programs. These methods have grown in their effectiveness not only because of improved understanding of the basic science - the biological events and molecular interactions that define a target for therapeutic intervention - but also because of advances in algorithms, representations, and mathematical procedures for studying such processes. This volume surveys some of those advances. A broad landscape of high-profile topics in computer-assisted molecular design (CAMD) directed to drug design are included. Subject areas represented in the volume include receptor-based applications such as binding energy approximations, molecular docking, and de novo design; non-receptor-based applications such as molecular similarity; molecular dynamics simulations; solvation and partitioning of a solute between aqueous and nonpolar media; graph theory; non-linear multidimensional optimization, processing of information obtained from simulation studies, global optimization and search strategies, and performance enhancement through parallel computing.
Beri rating eBook ini
Sampaikan pendapat Anda.
Informasi bacaan
Smartphone dan tablet
Instal aplikasi Google Play Buku untuk Android dan iPad/iPhone. Aplikasi akan disinkronkan secara otomatis dengan akun Anda dan dapat diakses secara online maupun offline di mana saja.
Laptop dan komputer
Anda dapat mendengarkan buku audio yang dibeli di Google Play menggunakan browser web komputer.
eReader dan perangkat lainnya
Untuk membaca di perangkat e-ink seperti Kobo eReaders, Anda perlu mendownload file dan mentransfernya ke perangkat Anda. Ikuti petunjuk Pusat bantuan yang mendetail untuk mentransfer file ke eReaders yang didukung.
