The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
In this paper, we describe the design and implementation of a message-passing algorithm which enables the Empirical Conformational Energy Program for Peptides (ECEPP/3) and related programs to run efficiently on the IBM RISC System/6000 POWERparallel System (SP2). Either the Message Passing Library (MPL) or the Message Passing Interface (MPI) can be used on the SP2; the MPI version also runs on the...
This is a summary of the background, and some of the experimental research in my laboratory, on the physical chemical properties of proteins. The experimental studies were carried out to obtain information about the three-dimensional structure and folding/unfolding pathways of bovine pancreatic ribonuclease A and three of its structural homologs, ribonuclease B, frog onconase, and bovine angiogenin.
In this chapter, reduced (coarse-grained) protein models are discussed. Emphasis is given to those models which can be used in simulating the structure, thermodynamics, and dynamics of real proteins and are, at the same time, transferable. The coarse-grained force fields are introduced in a physics-based way as potentials of mean force of polypeptide chains in reduced representations, in which the...
Based on the results of our recent work on the determination of the potentials of mean force of pairs of models of amino-acid side chains in water, in this work we make an attempt at introducing temperature-dependent side chain - side chain interaction potentials in our coarse-grained UNRES energy function. For hydrophobic pairs as well as oppositely-charged pairs, two functional forms are introduced,...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.