IPRO: An Iterative Computational Protein Library Redesign and Optimization Procedure

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

IPRO: an iterative computational protein library redesign and optimization procedure.

A number of computational approaches have been developed to reengineer promising chimeric proteins one at a time through targeted point mutations. In this article, we introduce the computational procedure IPRO (iterative protein redesign and optimization procedure) for the redesign of an entire combinatorial protein library in one step using energy-based scoring functions. IPRO relies on identi...

متن کامل

Extending Iterative Protein Redesign and Optimization (IPRO) in protein library design for ligand specificity.

In this article we extend the Iterative Protein Redesign and Optimization (IPRO) framework for the design of protein libraries with targeted ligand specificity. Mutations that minimize the binding energy with the desired ligand are identified. At the same time explicit constraints are introduced that maintain the binding energy for all decoy ligands above a threshold necessary for successful bi...

متن کامل

Computational protein design as an optimization problem

Proteins are chains of simple molecules called amino acids. The three-dimensional shape of a protein and its amino acid composition define its biological function. Over millions of years, living organisms have evolved a large catalog of proteins. By exploring the space of possible amino acid sequences, protein engineering aims at similarly designing tailored proteins with specific desirable pro...

متن کامل

Optimization Iterative Procedure for Radiative-Conductive Heat Transfer Model

A boundary optimal control problem for radiative-conductive heat transfer model in a layered medium is considered. The problem consists in minimization of a given cost functional by controlling the boundary temperature. The solvability of this control problem is proved, and optimality conditions are derived. An iteration algorithm is proposed, and numerical experiments are performed.

متن کامل

An iterative procedure to solve HJBI

In this paper, an iterative algorithm to solve a special class of Hamilton-JacobiBellman-Isaacs (HJBI) equations is proposed. By constructing two series of nonnegative functions, we replace the problem of solving an HJBI equation by the problem of solving a sequence of Hamilton-Jacobi-Bellman (HJB) equations whose solutions can be approximated recursively by existing methods. The local converge...

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: Biophysical Journal

سال: 2006

ISSN: 0006-3495

DOI: 10.1529/biophysj.105.079277