(Q40306265)

English

Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method

scientific article published on July 2006

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scholarly article

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Europe PubMed Central

PubMed publication ID

19 September 2017

Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method (English)

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

author name string

Srinath Cheluvaraja

1

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

Hagai Meirovitch

2

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Europe PubMed Central

PubMed publication ID

19 September 2017

language of work or name

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publication date

1 July 2006

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Europe PubMed Central

PubMed publication ID

19 September 2017

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

19 September 2017

125

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Europe PubMed Central

PubMed publication ID

19 September 2017

2

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

24905

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

describes a project that uses

molecular dynamics simulation

1 reference

based on heuristic

inferred from title

Studies in Molecular Dynamics. I. General Method

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Dynamics of folded proteins

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Structural evidence for induced fit as a mechanism for antibody-antigen recognition

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Backbone and side chain dynamics of uncomplexed human adipocyte and muscle fatty acid-binding proteins

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Equation of State Calculations by Fast Computing Machines

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

beta-Hairpins, alpha-helices, and the intermediates among the secondary structures in the energy landscape of a peptide from a distal beta-hairpin of SH3 domain

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Nonequilibrium Equality for Free Energy Differences

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Single-step perturbations to calculate free energy differences from unphysical reference states: limits on size, flexibility, and character

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Computer simulation of the free energy of peptides with the local states method: analogues of gonadotropin releasing hormone in the random coil and stable states

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water.

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and water

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Simulation method for calculating the entropy and free energy of peptides and proteins

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via Monte Carlo simulations

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Monte Carlo simulations of biomolecules: The MC module in CHARMM.

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR data

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Evaluating the Accuracy of the Quasiharmonic Approximation

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Free energy via molecular simulation: applications to chemical and biomolecular systems

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

1 reference

https://api.crossref.org/works/10.1063%2F1.2208608

21 January 2018

Identifiers

10.1063/1.2208608

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

19 September 2017

ResearchGate publication ID

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