Author: Björn RabensteinPublisher:
ISBN:
Category :
Languages : de
Pages : 123
Book Description
Monte Carlo methods for simulation of protein folding and titration
Author: Björn RabensteinMonte Carlo Simulations of Supported Biomembranes and Protein Folding
Author: Kristian DimitrievskiPublisher:
ISBN: 9789162867676
Category : Membranes (Biology)
Languages : en
Pages : 98
Book Description
Monte Carlo Simulations of Protein Folding
Author: Aaron Reuven DinnerPublisher:
ISBN: 9780599368729
Category : Monte Carlo method
Languages : en
Pages : 433
Book Description
Monte Carlo Simulation of Protein Folding in the Presence of Residue-specific Binding Sites
Author: Eddie RossinskyMonte Carlo Simulations of Protein Folding Using Experimental Free Energies of Amino Acid Side Chain-side Chain Interactions
Author: Jason B. LichtenPublisher:
ISBN:
Category : Amino acids
Languages : en
Pages : 126
Book Description
Extended Ensemble Monte Carlo Simulations of Coarse-grained Protein Models
Author: Alfred Christopher Kaushal FarrisPublisher:
ISBN:
Category :
Languages : en
Pages : 240
Book Description
In this work, we compare and contrast protein folding behavior in various coarse-grained, "reduced-alphabet" amino acid models, both on- and off-lattice, in an attempt to illuminate the effects of certain interaction parameters on the folding process, as well as to uncover the impact of lattice constraints in these kinds of models. Using modern, extended ensemble Monte Carlo methods -- Wang-Landau sampling, multicanonical sampling, replica-exchange Wang-Landau sampling, and replica-exchange multicanonical sampling, we investigate the thermodynamic and structural behavior of the protein Crambin within the context of the hydrophobic-polar (HP), hydrophobic-"neutral"--Polar (H0P), and semi-flexible H0P model frameworks. Through analysis of specific heat curves in combination with structural observables, we paint a picture of the folding process in all cases; all models undergo, at least, the two major structural transitions observed in nature -- the coil-globule collapse and the folding transition. As the complexity of the model increases, these two major transitions begin to split into multi-step processes, wherein the lattice coarse-graining has a significant impact on the details of these processes. The results show that the level of structural coarse-graining is coupled to the level of interaction coarse-graining, and that, surprisingly, the lattice models yield results that are more similar to those found in experiments.
Monte Carlo Simulations of the Thermodynamics of Folding and Denaturation Transitions for Simple Model Proteins
Author: Eamonn M. O'TooleNumerical Computer Methods, Part D
Author: Publisher: Elsevier
ISBN: 0080497217
Category : Computers
Languages : en
Pages : 527
Book Description
The aim of Numerical Computer Methods, Part D is to brief researchers of the importance of data analysis in enzymology, and of the modern methods that have developed concomitantly with computer hardware. It is also to validate researchers' computer programs with real and synthetic data to ascertain that the results produced are what they expected. Selected Contents: Prediction of protein structure Modeling and studying proteins with molecular dynamics Statistical error in isothermal titration calorimetry Analysis of circular dichroism data Model comparison methods
Applications of Monte Carlo Methods in Biology, Medicine and Other Fields of Science
Author: Charles J. ModePublisher: BoD – Books on Demand
ISBN: 9533074272
Category : Computers
Languages : en
Pages : 442
Book Description
This volume is an eclectic mix of applications of Monte Carlo methods in many fields of research should not be surprising, because of the ubiquitous use of these methods in many fields of human endeavor. In an attempt to focus attention on a manageable set of applications, the main thrust of this book is to emphasize applications of Monte Carlo simulation methods in biology and medicine.
Computational Chemistry Methods in Structural Biology
Author: Christo ChristovPublisher: Academic Press
ISBN: 0123864852
Category : Science
Languages : en
Pages : 360
Book Description
Published continuously since 1944, the Advances in Protein Chemistry and Structural Biology serial has been a continuous, essential resource for protein chemists. Covering reviews of methodology and research in all aspects of protein chemistry, including purification/expression, proteomics, modeling and structural determination and design, each volume brings forth new information about protocols and analysis of proteins while presenting the most recent findings from leading experts in a broad range of protein-related topics. This volume features articles on Computational Chemistry methods in Structural Biology. Essential resource for protein chemists This volume features articles on Computational Chemistry methods in Structural Biology