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Assessing protein conformational sampling and structural stability via de novo design and molecular dynamics simulations

Published:2015-03-21 Issue:6 Volume:103 Page:351-361
ISSN:0006-3525
Container-title:Biopolymers
language:en
Short-container-title:Biopolymers

Author:

Cunha Keila C.¹,Rusu Victor H.²,Viana Isabelle F. T.³,Marques Ernesto T. A.³⁴,Dhalia Rafael⁴,Lins Roberto D.¹⁴

Affiliation:

1. Department of Fundamental Chemistry; Federal University of Pernambuco; Recife PE 50740-560 Brazil

2. Department of Physical Chemistry; ETH-Hönggerberg; Zurich CH-8093 Switzerland

3. Center for Vaccine Research, University of Pittsburgh, 9052 BST3; Pittsburgh PA 15261

4. Aggeu Magalhães Research Center, Oswaldo Cruz Foundation; Recife PE 50670-420 Brazil

Funder

CAPES

CNPq

FACEPE

Publisher

Wiley

Subject

Organic Chemistry,Biomaterials,Biochemistry,General Medicine,Biophysics

Reference49 articles.

1. Sampling Bottlenecks in De novo Protein Structure Prediction

2. Native contacts determine protein folding mechanisms in atomistic simulations

3. The Protein Folding Problem

4. Biomolecular Simulation: A Computational Microscope for Molecular Biology

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