Novel methods for molecular dynamics simulations (Q41052952)

26 September 2017

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title

Novel methods for molecular dynamics simulations (English)

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26 September 2017

Elber R

1

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26 September 2017

1 April 1996

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Current Opinion in Structural Biology

26 September 2017

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26 September 2017

6

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26 September 2017

232-235

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26 September 2017

2

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Sequence effects on the conformational properties of the amyloid beta (1-28) peptide: testing a proposed mechanism for the alpha-->beta transition.

26 September 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Simulation of the kinetics of ligand binding to a protein by molecular dynamics: geminate rebinding of nitric oxide to myoglobin.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Correlating solvation free energies and surface tensions of hydrocarbon solutes.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Molecular dynamics simulations of isolated helices of myoglobin

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

First-principles calculation of the folding free energy of a three-helix bundle protein

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Exploring the role of the solvent in the denaturation of a protein: a molecular dynamics study of the DNA binding domain of the 434 repressor

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Computational approaches to study protein unfolding: hen egg white lysozyme as a case study

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Reversible multiple time scale molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Long timestep dynamics of peptides by the dynamics driver approach.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Algorithms for constrained molecular dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Computer determination of peptide conformations in water: different roads to structure

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Harmonicity and anharmonicity in protein dynamics: a normal mode analysis and principal component analysis

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

Anharmonic wave functions of proteins: quantum self-consistent field calculations of BPTI.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2896%2980080-7

7 January 2021

10.1016/S0959-440X(96)80080-7

Identifiers

DOI

1 reference

26 September 2017

1 reference

PubMed ID

8728657