نتایج جستجو برای: mdff simulation

تعداد نتایج: 559011  

Journal: :Journal of the American Chemical Society 2017
Jaekyun Jeon Xin Qiao Ivan Hung Alok K Mitra Ambroise Desfosses Daniel Huang Peter L Gor'kov Rebecca C Craven Richard L Kingston Zhehong Gan Fangqiang Zhu Bo Chen

The orthoretroviral capsid protein (CA) assembles into polymorphic capsids, whose architecture, assembly, and stability are still being investigated. The N-terminal and C-terminal domains of CA (NTD and CTD, respectively) engage in both homotypic and heterotypic interactions to create the capsid. Hexameric turrets formed by the NTD decorate the majority of the capsid surface. We report nearly c...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان 1390

a one dimensional dynamic model for a riser reactor in a fluidized bed catalytic cracking unit (fccu) for gasoil feed has been developed in two distinct conditions, one for industrial fccu and another for fccu using various frequencies of microwave energy spaced at the height of the riser reactor (fccu-mw). in addition, in order to increase the accuracy of component and bulk diffusion, instanta...

Scorpion venom is a rich source of toxins which have great potential to develop new therapeutic agents. Scorpion chloride channel toxins (ClTxs), such as Chlorotoxin selectively inhibit human Matrix Methaloproteinase-2 (hMMP-2). The inhibitors of hMMP-2 have potential use in cancer therapy. Three new ClTxs, meuCl14, meuCl15 and meuCl16, derived from the venom transcriptome of Iranian scorpion, ...

Scorpion venom is a rich source of toxins which have great potential to develop new therapeutic agents. Scorpion chloride channel toxins (ClTxs), such as Chlorotoxin selectively inhibit human Matrix Methaloproteinase-2 (hMMP-2). The inhibitors of hMMP-2 have potential use in cancer therapy. Three new ClTxs, meuCl14, meuCl15 and meuCl16, derived from the venom transcriptome of Iranian scorpion, ...

2015
Xiaojun Xu Chunli Yan Robert Wohlhueter Ivaylo Ivanov

While conventional high-resolution techniques in structural biology are challenged by the size and flexibility of many biological assemblies, recent advances in low-resolution techniques such as cryo-electron microscopy (cryo-EM) and small angle X-ray scattering (SAXS) have opened up new avenues to define the structures of such assemblies. By systematically combining various sources of structur...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز 1380

در کشاورزی، داشتن مدلهای کامپیوتری رشد گیاهان و تعیین مقدار بهینه آب و کود نیتروژنه برای بهبود مدیریت منابع، حداکثر نمودن درآمد تولیدکنندگان و کاهش آلودگی منابع آب خیلی مهم است . در این تحقیق برای شبیه سازی رشد گیاه ذرت یک مدل به زبان(csm.corn simulation model) quick basic نوشته شده است .

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان - دانشکده مهندسی شیمی 1391

attempts have been made to study the thermodynamic behavior of 1,3 butadiene purification columns with the aim of retrofitting those columns to more energy efficient separation schemes. 1,3 butadiene is purified in two columns in series through being separated from methyl acetylene and 1,2 butadiene in the first and second column respectively. comparisons have been made among different therm...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی اصفهان - دانشکده ریاضی 1390

abstract: in the paper of black and scholes (1973) a closed form solution for the price of a european option is derived . as extension to the black and scholes model with constant volatility, option pricing model with time varying volatility have been suggested within the frame work of generalized autoregressive conditional heteroskedasticity (garch) . these processes can explain a number of em...

2014
Ryan McGreevy Abhishek Singharoy Qufei Li Jingfen Zhang Dong Xu Eduardo Perozo Klaus Schulten

X-ray crystallography remains the most dominant method for solving atomic structures. However, for relatively large systems, the availability of only medium-to-low-resolution diffraction data often limits the determination of all-atom details. A new molecular dynamics flexible fitting (MDFF)-based approach, xMDFF, for determining structures from such low-resolution crystallographic data is repo...

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