(Q30359025)

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Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins.

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scholarly article

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Europe PubMed Central

PMC publication ID

14 September 2017

Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins. (English)

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Europe PubMed Central

PMC publication ID

14 September 2017

potential energy

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Cezary Czaplewski

object named as

Cezary Czaplewski

3

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Harold A. Scheraga

7

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Harold A Scheraga

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Europe PubMed Central

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14 September 2017

1

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Adam Liwo

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Europe PubMed Central

PMC publication ID

14 September 2017

author name string

Mey Khalili

2

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Europe PubMed Central

PMC publication ID

14 September 2017

Sebastian Kalinowski

4

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14 September 2017

Staniłsaw Ołdziej

5

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Europe PubMed Central

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14 September 2017

Katarzyna Wachucik

6

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Europe PubMed Central

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14 September 2017

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publication date

1 January 2007

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Europe PubMed Central

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14 September 2017

Journal of Physical Chemistry B

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Europe PubMed Central

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14 September 2017

111

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Europe PubMed Central

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14 September 2017

1

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Europe PubMed Central

PMC publication ID

14 September 2017

260-285

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Europe PubMed Central

PMC publication ID

14 September 2017

Protein Structure Prediction: The Next Generation.

1 reference

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Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field

1 reference

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Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model alpha-helical systems

1 reference

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Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical mode

1 reference

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An evolutionary strategy for all-atom folding of the 60-amino-acid bacterial ribosomal protein l20.

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Progress over the first decade of CASP experiments.

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Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: assessment in two blind tests.

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1 reference

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A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: application to the UNRES force field

1 reference

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Recent improvements in prediction of protein structure by global optimization of a potential energy function.

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The structure of a LysM domain from E. coli membrane-bound lytic murein transglycosylase D (MltD)

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Structural analysis of WW domains and design of a WW prototype

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Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solution

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Identifiers

10.1021/JP065380A

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

14 September 2017

ResearchGate publication ID

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