Autodock Tutorial
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Teori dan Tutorial Molecular Docking Menggunakan AutoDock Vina
Autodock Vina adalah perangkat lunak Molekular Docking, dan Virtual Screening paling populer yang paling banyak digunakan pada dunia akademik, jumlah sitasi artikelnya saja saat ini mencapai 20179 pada Agustus 2022. Autodock Vina mampu melakukan simulasi docking sangat cepat jika dibandingkan dengan Autodock4.2. Biasanya Vina digunakan pada CMD Windows atau Terminal di Linux. Vina sangat ringan, dan tidak membutuhkan instalasi, ukuran file lebih kecil dari 3 Megabyte. Masih kurangnya buku spesifik berbahasa indonesia yang membahas AutoDock Vina serta banyak penelitian dan metode Docking yang masih tidak tepat untuk menyimpulkan hasil simulasi metode ini sehingga memacu penulis untuk menulis buku ini.
Chemical Genomics
Author: Edward D. Zanders
language: en
Publisher: Springer Science & Business Media
Release Date: 2008-02-04
Chemical genomics is an exciting new field that aims to transform biolo- cal chemistry into a high-throughput industrialized process, much in the same way that molecular biology has been transformed by genomics. The inter- tion of small organic molecules with biological systems (mostly proteins) underpins drug discovery in the pharmaceutical and biotechnology industries, and therefore a volume of laboratory protocols that covers the key aspects of chemical genomics would be of use to biologists and chemists in these orga- zations. Academic scientists have been exploring the functions of proteins using small molecules as probes for many years and therefore would also b- efit from sharing ideas and laboratory procedures. Whatever the organizational backgrounds of the scientists involved, the challenges of extracting the ma- mum human benefit from genome sequencing projects remains considerable, and one where it is increasingly recognized that chemical genomics will play an important part. Chemical Genomics: Reviews and Protocols is divided into two sections, the first being a series of reviews to describe what chemical genomics is about and to set the scene for the protocol chapters. The subject is introduced by Paul Caron, who explains the various flavors of chemical genomics. This is f- lowed by Lutz Weber and Philip Dean who cover the interaction between organic molecules and protein targets from the different perspectives of la- ratory experimentation and in silico design. The protocols begin with the me- ods developed in Christopher Lowes’ laboratory (Roque et al.
Computational Biology in Drug Discovery and Repurposing
This new book takes an in-depth look at the emerging and prospective field of computational biology and bioinformatics, which possesses the ability to analyze large accumulated biological data collected from sequence analysis of proteins and genes and cell population with an aim to make new predictions pertaining to drug discovery and new biology. The book explains the basic methodology associated with a bioinformatics and computational approach in drug designing. It then goes on to cover the implementation of computational programming, bioinformatics, pharmacophore modeling, biotechnological techniques, and pharmaceutical chemistry in designing drugs. The major advantage of intervention of computer language or programming is to cut down the number of steps and costs in the field of drug designing, reducing the repeating steps and saving time in screening the potent component for drug or vaccine designing. The book describes algorithms used for drug designing and the use of machine learning and AI in drug delivery and disease diagnosis, which are valuable in clinical decision-making. The implementation of robotics in different diseases like stroke, cancer, COVID-19, etc. is also addressed. Topics include machine learning, AI, databases in drug design, molecular docking, bioinformatics tools, target-based drug design, and immunoinformatics, chemoinformatics, and nanoinformatics in drug design. Drug repurposing in drug design in general as well as for specific diseases, including cancer, Alzheimer’s disease, tuberculosis, COVID-19, etc., is also addressed in depth.