Validating CHARMM Parameters and Exploring Charge Distribution Rules in Structure-Based Drug Design
نویسندگان
چکیده
منابع مشابه
task-based language teaching in iran: a mixed study through constructing and validating a new questionnaire based on theoretical, sociocultural, and educational frameworks
جنبه های گوناگونی از زندگی در ایران را از جمله سبک زندگی، علم و امکانات فنی و تکنولوژیکی می توان کم یا بیش وارداتی در نظر گرفت. زبان انگلیسی و روش تدریس آن نیز از این قاعده مثتسنی نیست. با این حال گاهی سوال پیش می آید که آیا یک روش خاص با زیر ساخت های نظری، فرهنگی اجتماعی و آموزشی جامعه ایرانی سازگاری دارد یا خیر. این تحقیق بر اساس روش های ترکیبی انجام شده است.پرسش نامه ای نیز برای زبان آموزان ...
[Structure-based drug design].
Structure-based drug design is not only a fundamental tool in the search of new drugs but also an area of intensive scientific research. The present contribution starts with a critical analysis of the potentiality of the structure based design and then reviews its methods. Protein crystallography, NMR, homology modelling and the use of antibodies are either referenced or briefly described as th...
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Volume 1 • Issue 4 • 1000e111 J Pharmacovigilance ISSN: 2329-6887 JP, an open access journal In today’s world where life is fast-paced, public health is a big concern. With the tremendous ongoing development in the field of pharmaceutical drugs, people can find cure for a vast variety of diseases. These modern-day medicines have been proven to be more effective in treating, managing, controllin...
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Structure-based drug design (SBDD) and ligand-based drug design (LBDD) are active areas of research in both the academic and commercial realms. This book provides a current snapshot of the field of computer-aided drug design and associated experimental approaches. Topics covered include x-ray crystallography, nuclear magnetic resonance, fragment-based drug design, free-energy methods, docking a...
متن کاملCombining structure-based drug design and pharmacophores.
Development towards integrated computer-aided drug design methodologies is presented by utilising crystal structure complexes to produce structure-based pharmacophores. These novel pharmacophores represent the ligand features that are involved in interactions with the target protein, as well as the space around the ligand occupied by the protein. The protein-ligand complexes can also yield info...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2009
ISSN: 1549-9618,1549-9626
DOI: 10.1021/ct900079t