Publications by authors named "Gia G Maisuradze"

30Publications

Tribute to Harold A. Scheraga.

J Phys Chem B 2020 Nov 23;124(46):10301-10302. Epub 2020 Oct 23.

Georgia Institute of Technology.

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http://dx.doi.org/10.1021/acs.jpcb.0c08867DOI Listing
November 2020

Curvature and Torsion of Protein Main Chain as Local Order Parameters of Protein Unfolding.

J Phys Chem B 2020 Jun 24;124(22):4391-4398. Epub 2020 May 24.

Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303, CNRS, Université de Bourgogne Franche-Comté, 9 Av. A. Savary, BP 47 870, F-21078 Cedex Dijon, France.

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http://dx.doi.org/10.1021/acs.jpcb.0c01230DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7362589PMC
June 2020

New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain.

J Phys Chem B 2020 May 1;124(19):3855-3872. Epub 2020 May 1.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca 14853-1301, New York, United States.

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http://dx.doi.org/10.1021/acs.jpcb.0c00628DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7228858PMC
May 2020

Dependence of the Formation of Tau and Aβ Peptide Mixed Aggregates on the Secondary Structure of the N-Terminal Region of Aβ.

J Phys Chem B 2018 07 10;122(28):7049-7056. Epub 2018 Jul 10.

Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853 , United States.

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http://dx.doi.org/10.1021/acs.jpcb.8b04647DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6524542PMC
July 2018

From a Highly Disordered to a Metastable State: Uncovering Insights of α-Synuclein.

ACS Chem Neurosci 2018 05 26;9(5):1051-1065. Epub 2018 Feb 26.

Baker Laboratory of Chemistry and Chemical Biology , Cornell University , Ithaca , New York 14853-1301 , United States.

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http://dx.doi.org/10.1021/acschemneuro.7b00446DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5955826PMC
May 2018

Statistical Model To Decipher Protein Folding/Unfolding at a Local Scale.

J Phys Chem B 2018 04 28;122(13):3540-3549. Epub 2018 Feb 28.

Laboratoire Interdisciplinaire Carnot de Bourgogne , UMR 6303 CNRS-Univ. de Bourgogne Franche-Comté , 9 Av. A. Savary, BP 47 870 , F-21078 Dijon Cedex , France.

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http://dx.doi.org/10.1021/acs.jpcb.7b10733DOI Listing
April 2018

Sequence-, structure-, and dynamics-based comparisons of structurally homologous CheY-like proteins.

Proc Natl Acad Sci U S A 2017 02 31;114(7):1578-1583. Epub 2017 Jan 31.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853;

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http://dx.doi.org/10.1073/pnas.1621344114DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5321002PMC
February 2017

Elucidating Important Sites and the Mechanism for Amyloid Fibril Formation by Coarse-Grained Molecular Dynamics.

ACS Chem Neurosci 2017 01 18;8(1):201-209. Epub 2016 Nov 18.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853-1301, United States.

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http://dx.doi.org/10.1021/acschemneuro.6b00331DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5245180PMC
January 2017

Eliminating a Protein Folding Intermediate by Tuning a Local Hydrophobic Contact.

J Phys Chem B 2017 04 29;121(15):3276-3284. Epub 2016 Sep 29.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University , Ithaca, New York 14853-1301, United States.

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http://dx.doi.org/10.1021/acs.jpcb.6b07250DOI Listing
April 2017

Preventing fibril formation of a protein by selective mutation.

Proc Natl Acad Sci U S A 2015 Nov 19;112(44):13549-54. Epub 2015 Oct 19.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301;

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http://dx.doi.org/10.1073/pnas.1518298112DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4640778PMC
November 2015

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.

Proc Natl Acad Sci U S A 2014 Dec 8;111(51):18243-8. Epub 2014 Dec 8.

Laboratory of Molecular Modeling, Faculty of Chemistry, University of Gdańsk, 80-308 Gdańsk, Poland;

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http://dx.doi.org/10.1073/pnas.1420914111DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4280612PMC
December 2014

Accounting for a mirror-image conformation as a subtle effect in protein folding.

Proc Natl Acad Sci U S A 2014 Jun 27;111(23):8458-63. Epub 2014 May 27.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301;

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http://www.pnas.org/cgi/doi/10.1073/pnas.1407837111
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http://dx.doi.org/10.1073/pnas.1407837111DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4060689PMC
June 2014

Kinks, loops, and protein folding, with protein A as an example.

J Chem Phys 2014 Jan;140(2):025101

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, USA.

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http://dx.doi.org/10.1063/1.4855735DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3899063PMC
January 2014

Local vs global motions in protein folding.

J Chem Theory Comput 2013 Jul;9(7):2907-2921

Baker Laboratory of Chemistry and Chemical Biology, Cornell University Ithaca, New York 14853-1301.

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http://pubs.acs.org/doi/10.1021/ct4001558
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http://dx.doi.org/10.1021/ct4001558DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3727290PMC
July 2013

Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamics.

J Chem Theory Comput 2012 May 15;8(5):1750-1764. Epub 2012 Mar 15.

Faculty of Chemistry, University of Gdánsk, Sobieskiego 18, 80-952 Gdánsk, Poland.

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http://dx.doi.org/10.1021/ct200680gDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3380372PMC
May 2012

Hidden protein folding pathways in free-energy landscapes uncovered by network analysis.

J Chem Theory Comput 2012 Apr 24;8(4):1176-1189. Epub 2012 Feb 24.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York, 14850-1301.

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http://dx.doi.org/10.1021/ct200806nDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3376395PMC
April 2012

Anomalous diffusion and dynamical correlation between the side chains and the main chain of proteins in their native state.

Proc Natl Acad Sci U S A 2012 Jun 11;109(26):10346-51. Epub 2012 Jun 11.

Laboratoire Interdisciplinaire Carnot de Bourgogne, Unité Mixte de Recherche 6303 Centre National de la Recherche Scientifique-Université de Bourgogne, 9 Avenue A Savary, BP 47 870, F-21078 Dijon Cedex, France.

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http://dx.doi.org/10.1073/pnas.1207083109DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3387131PMC
June 2012

Effects of mutation, truncation, and temperature on the folding kinetics of a WW domain.

J Mol Biol 2012 Jul 2;420(4-5):350-65. Epub 2012 May 2.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA.

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http://dx.doi.org/10.1016/j.jmb.2012.04.027DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3586707PMC
July 2012

Nonexponential decay of internal rotational correlation functions of native proteins and self-similar structural fluctuations.

Proc Natl Acad Sci U S A 2010 Nov 2;107(46):19844-9. Epub 2010 Nov 2.

Laboratoire Interdisciplinaire Carnot de Bourgogne, Unité Mixte de Recherche 5209 Centre National de la Recherche Scientifique-Université de Bourgogne, 9 Avenue A. Savary, BP 47 870, F-21078 Dijon Cedex, France.

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http://www.pnas.org/cgi/doi/10.1073/pnas.1013674107
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http://dx.doi.org/10.1073/pnas.1013674107DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2993386PMC
November 2010

Evidence, from simulations, of a single state with residual native structure at the thermal denaturation midpoint of a small globular protein.

J Am Chem Soc 2010 Jul;132(27):9444-52

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, USA.

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http://dx.doi.org/10.1021/ja1031503DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910365PMC
July 2010

Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field.

J Phys Chem A 2010 Apr;114(13):4471-85

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, USA.

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https://pubs.acs.org/doi/10.1021/jp9117776
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http://dx.doi.org/10.1021/jp9117776DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2849147PMC
April 2010

Relation between free energy landscapes of proteins and dynamics.

J Chem Theory Comput 2010 Feb;6(2):583-595

Baker Laboratory of Chemistry and Chemical Biology, Cornell University Ithaca, New York 14853-1301.

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http://dx.doi.org/10.1021/ct9005745DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3633568PMC
February 2010

How adequate are one- and two-dimensional free energy landscapes for protein folding dynamics?

Phys Rev Lett 2009 Jun 12;102(23):238102. Epub 2009 Jun 12.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2760970PMC
http://dx.doi.org/10.1103/PhysRevLett.102.238102DOI Listing
June 2009

How main-chains of proteins explore the free-energy landscape in native states.

Proc Natl Acad Sci U S A 2008 Dec 10;105(50):19708-13. Epub 2008 Dec 10.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA.

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http://www.pnas.org/cgi/doi/10.1073/pnas.0810679105
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http://dx.doi.org/10.1073/pnas.0810679105DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2604949PMC
December 2008

Principal component analysis for protein folding dynamics.

J Mol Biol 2009 Jan 15;385(1):312-29. Epub 2008 Oct 15.

Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, NY 14853-1301, USA.

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http://dx.doi.org/10.1016/j.jmb.2008.10.018DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2652707PMC
January 2009

Free energy landscape of a biomolecule in dihedral principal component space: sampling convergence and correspondence between structures and minima.

Proteins 2007 May;67(3):569-78

Department of Chemistry, University of Nevada, Reno, Nevada 89557, USA.

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http://dx.doi.org/10.1002/prot.21344DOI Listing
May 2007

Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system.

J Chem Phys 2004 Dec;121(21):10329-38

Department of Chemistry, Oklahoma State University, Stillwater, OK 74078, USA.

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http://dx.doi.org/10.1063/1.1810477DOI Listing
December 2004