Optimizing Protein Dynamics in Metalloenzyme Design
نویسندگان
چکیده
منابع مشابه
Optimizing energy functions for protein-protein interface design
Protein design methods have been originally developed for the design of monomeric proteins. When applied to the more challenging task of protein–protein complex design, these methods yield suboptimal results. In particular, they often fail to recapitulate favorable hydrogen bonds and electrostatic interactions across the interface. In this work, we aim to improve the energy function of the prot...
متن کاملTargeting protein dynamics in drug design
The dynamic nature of protein structures provides challenges and opportunities for ligand design. I will first discuss some of the different ways in which protein dynamics can be targeted, giving examples from our experience in the design of inhibitors of thymidylate synthase [1-3]. I will then describe the development of a computational toolbox (TRAPP: TRAnsient Pockets in Proteins) to identif...
متن کاملOptimizing COOP Languages: Study of a Protein Dynamics Program
Fine-grained concurrent object-oriented programming (COOP) models which provide a shared names-pace, object-level concurrency and implicit dynamic thread creation can simplify the programming of irregular parallel applications on distributed memory machines. Unfortunately, COOP models are often perceived as ineecient and thus few complete applications have been implemented in COOP languages. In...
متن کاملOptimizing Drug Design
http://www.lorentzcenter.nl/lc/web/2009/359/info.php3?wsid=359 www.pharma-it.net Keynote Presentations
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2017
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2016.11.1072