Statistical dictionaries for hypothetical in silico model of the early-stage intermediate in protein folding

Barbara Kalinowska; Piotr Fabian; Katarzyna Stapor; Irena Roterman

doi:10.1007/s10822-015-9839-2

Statistical dictionaries for hypothetical in silico model of the early-stage intermediate in protein folding

Barbara Kalinowska
, Piotr Fabian
, Katarzyna Stapor
, Irena Roterman

Jagiellonian University Medical College
Jagiellonian University in Kraków

Research output: Contribution to journal › Article › peer-review

9 Citations (Scopus)

Abstract

The polypeptide chain folding process appears to be a multi-stage phenomenon. The scientific community has recently devoted much attention to early stages of this process, with numerous attempts at simulating them - either experimentally or in silico. This paper presents a comparative analysis of the predicted and observed results of folding simulations. The proposed technique, based on statistical dictionaries, yields a global accuracy of 57 % - a marked improvement over older approaches (with an accuracy of approximately 46 %).

Original language	English
Pages (from-to)	609-618
Number of pages	10
Journal	Journal of Computer-Aided Molecular Design
Volume	29
Issue number	7
DOIs	https://doi.org/10.1007/s10822-015-9839-2
Publication status	Published - Jul 2015

Keywords

Early stage folding
Folding intermediate
Folding process
Folding simulation
Structure predictability

ASJC Scopus subject areas

Drug Discovery
Computer Science Applications
Physical and Theoretical Chemistry

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10.1007/s10822-015-9839-2

Cite this

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abstract = "The polypeptide chain folding process appears to be a multi-stage phenomenon. The scientific community has recently devoted much attention to early stages of this process, with numerous attempts at simulating them - either experimentally or in silico. This paper presents a comparative analysis of the predicted and observed results of folding simulations. The proposed technique, based on statistical dictionaries, yields a global accuracy of 57 \% - a marked improvement over older approaches (with an accuracy of approximately 46 \%).",

keywords = "Early stage folding, Folding intermediate, Folding process, Folding simulation, Structure predictability",

author = "Barbara Kalinowska and Piotr Fabian and Katarzyna Stapor and Irena Roterman",

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AU - Fabian, Piotr

AU - Stapor, Katarzyna

AU - Roterman, Irena

N1 - Publisher Copyright: © The Author(s) 2015.

PY - 2015/7

Y1 - 2015/7

N2 - The polypeptide chain folding process appears to be a multi-stage phenomenon. The scientific community has recently devoted much attention to early stages of this process, with numerous attempts at simulating them - either experimentally or in silico. This paper presents a comparative analysis of the predicted and observed results of folding simulations. The proposed technique, based on statistical dictionaries, yields a global accuracy of 57 % - a marked improvement over older approaches (with an accuracy of approximately 46 %).

AB - The polypeptide chain folding process appears to be a multi-stage phenomenon. The scientific community has recently devoted much attention to early stages of this process, with numerous attempts at simulating them - either experimentally or in silico. This paper presents a comparative analysis of the predicted and observed results of folding simulations. The proposed technique, based on statistical dictionaries, yields a global accuracy of 57 % - a marked improvement over older approaches (with an accuracy of approximately 46 %).

KW - Early stage folding

KW - Folding intermediate

KW - Folding process

KW - Folding simulation

KW - Structure predictability

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JF - Journal of Computer-Aided Molecular Design

IS - 7

ER -

Statistical dictionaries for hypothetical in silico model of the early-stage intermediate in protein folding

Abstract

Keywords

ASJC Scopus subject areas

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