A mixed molecular modeling-robotics approach to investigate lipase large molecular motions

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

A mixed molecular modeling-robotics approach to investigate lipase large molecular motions.

Large-scale conformational rearrangement of a lid subdomain is a key event in the interfacial activation of many lipases. We present herein a study in which the large-scale "open-to-closed" movement of Burkholderia cepacia lipase lid has been simulated at the atomic level using a hybrid computational method. The two-stage approach combines path-planning algorithms originating from robotics and ...

متن کامل

A Motion Planning Approach to Studying Molecular Motions

While structurally very different, protein and RNA molecules share an important attribute. The motions they undergo are strongly related to the function they perform. For example, many diseases such as Mad Cow disease or Alzheimer’s disease are associated with protein misfolding and aggregation. Similarly, RNA folding velocity may regulate the plasmid copy number, and RNA folding kinetics can r...

متن کامل

The molecular modeling toolkit: A new approach to molecular simulations

The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are commonly used for biomolecules. Its principal advantages ...

متن کامل

Multispectroscopic and molecular modeling approach to investigate the interaction of flavokawain B with human serum albumin.

Interaction of flavokawain B (FB), a multitherapeutic flavonoid from Alpinia mutica with the major transport protein, human serum albumin (HSA), was investigated using different spectroscopic probes, i.e., intrinsic, synchronous, and three-dimensional (3-D) fluorescence, circular dichroism (CD), and molecular modeling studies. Values of binding parameters for FB-HSA interaction in terms of bind...

متن کامل

Modeling and Simulation of a Molecular Single-Electron Transistor

In this paper, to understand the concept of coupling, molecule density of states that coupled to the metal electrodes will be explained then, based on this concept, a weak and strong coupling for the molecules attached to the metal electrodes will be described. Capacitance model is used to explore the connection of addition energy with the Electron affinity and the ionization energy of the mole...

متن کامل

ذخیره 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: Proteins: Structure, Function, and Bioinformatics

سال: 2011

ISSN: 0887-3585

DOI: 10.1002/prot.23075