Computer Simulations of Membrane Protein Folding: Structure and Dynamics

نویسندگان
چکیده

برای دانلود رایگان 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

Computer simulations of membrane protein folding: structure and dynamics.

A lattice model of membrane proteins with a composite energy function is proposed to study their folding dynamics and native structures using Monte Carlo simulations. This model successfully predicts the seven helix bundle structure of sensory rhodopsin I by practicing a three-stage folding. Folding dynamics of a transmembrane segment into a helix is further investigated by varying the cooperat...

متن کامل

Computer Simulations of Protein Folding

Computer simulation holds great promise to significantly complement experiment as a tool for biological and biophysical characterization. Simulations offer the promise of atomic spatial detail with femtosecond temporal resolution. However, the application of computational methodology has been greatly limited due to fundamental computational challenges: put simply, for much of what one would wan...

متن کامل

Computer Simulations of Protein Folding

Title of dissertation: COMPUTER SIMULATIONS OF PROTEIN FOLDING Aram Davtyan, Doctor of Philosophy, 2013 Dissertation directed by: Professor Garegin A. Papoian Department of Chemistry and Institute for Physical Science and Technology Understanding how proteins fold and interact with each other is key to understanding virtually all biological processes. Recent advances in computer power and model...

متن کامل

Computer simulations of protein folding by targeted molecular dynamics.

We have performed 128 folding and 45 unfolding molecular dynamics runs of chymotrypsin inhibitor 2 (CI2) with an implicit solvation model for a total simulation time of 0.4 microseconds. Folding requires that the three-dimensional structure of the native state is known. It was simulated at 300 K by supplementing the force field with a harmonic restraint which acts on the root-mean-square deviat...

متن کامل

Protein Folding Properties from Molecular Dynamics Simulations

Our understanding of protein folding has improved tremendously due to computer simulations of molecular dynamics (MD), but determining protein folding kinetics and thermodynamics from all-atom MD simulations without using experimental data still represents a formidable scientific challenge. Simulations can easily get trapped in local minima on rough free energy landscapes and folding events may...

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: 2003

ISSN: 0006-3495

DOI: 10.1016/s0006-3495(03)74998-4