(Q36927066)

English

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

scientific article published on July 2005

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scholarly article

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

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

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Harold A. Scheraga

5

object named as

Harold A Scheraga

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

2

object named as

Adam Liwo

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

author name string

Mey Khalili

1

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Franciszek Rakowski

3

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Paweł Grochowski

4

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

language of work or name

0 references

publication date

1 July 2005

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

Journal of Physical Chemistry B

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

109

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

28

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

13785-13797

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

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

1 reference

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29 September 2017

Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains

1 reference

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Deterministic and stochastic algorithms for mechanical systems under constraints.

1 reference

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The protein folding 'speed limit'.

1 reference

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All-atom simulations of protein folding and unfolding

1 reference

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Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

1 reference

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Associative memory Hamiltonians for structure prediction without homology: alpha/beta proteins

1 reference

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An atomically detailed study of the folding pathways of protein A with the stochastic difference equation

1 reference

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Long time dynamics of complex systems

1 reference

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Folding funnels: the key to robust protein structure prediction.

1 reference

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29 September 2017

Protein folding and unfolding at atomic resolution

1 reference

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29 September 2017

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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29 September 2017

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

1 reference

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29 September 2017

From folding theories to folding proteins: a review and assessment of simulation studies of protein folding and unfolding

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2563158

29 September 2017

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

1 reference

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29 September 2017

Associative memory hamiltonians for structure prediction without homology: alpha-helical proteins.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2563158

29 September 2017

Generalized born models of macromolecular solvation effects

1 reference

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29 September 2017

Calculation of protein conformation by global optimization of a potential energy function.

1 reference

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29 September 2017

Protein structure prediction by global optimization of a potential energy function.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2563158

29 September 2017

Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: application to the 10-55 fragment of staphylococcal protein A and to apo calbindin D9K.

1 reference

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29 September 2017

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

1 reference

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29 September 2017

Self-consistently optimized energy functions for protein structure prediction by molecular dynamics

1 reference

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29 September 2017

Prediction of protein conformation on the basis of a search for compact structures: test on avian pancreatic polypeptide

1 reference

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29 September 2017

Monte Carlo simulations of protein folding. II. Application to protein A, ROP, and crambin

1 reference

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Optimizing physical energy functions for protein folding.

1 reference

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1 reference

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A mezoscopic model of nucleic acids. Part 2. An effective potential energy function for DNA.

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A mezoscopic model of nucleic acids. Part 1. Lagrangian and quaternion molecular dynamics.

1 reference

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Monte Carlo simulations of protein folding. I. Lattice model and interaction scheme.

1 reference

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Protein folding simulation with solvent-induced force field: folding pathway ensemble of three-helix-bundle proteins

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Protein folding kinetics: timescales, pathways and energy landscapes in terms of sequence-dependent properties

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ab initio folding of helix bundle proteins using molecular dynamics simulations

1 reference

https://pubmed.ncbi.nlm.nih.gov/16852727

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Thermal folding and mechanical unfolding pathways of protein secondary structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/16852727

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1021/JP058008O

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

release_ggbbvw5665aedhjz4ox5osscfi

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https://api.fatcat.wiki/v0/release/ggbbvw5665aedhjz4ox5osscfi

24 November 2022

based on heuristic

mapped directly with Wikidata item

PMC publication ID

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PMC publication ID

17 August 2017

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