(Q51646497)

8 April 2018

title

Towards molecular dynamics simulation of large proteins with a hydration shell at constant pressure. (English)

1 reference

8 April 2018

author name string

V Lounnas

series ordinal

1

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8 April 2018

S K Lüdemann

series ordinal

2

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8 April 2018

R C Wade

series ordinal

3

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8 April 2018

publication date

1 April 1999

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8 April 2018

published in

Biophysical Chemistry

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8 April 2018

volume

78

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8 April 2018

issue

1-2

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8 April 2018

page(s)

157-182

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8 April 2018

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

1 reference

7 January 2021

Improved Binding of Cytochrome P450cam Substrate Analogues Designed To Fill Extra Space in the Substrate Binding Pocket†

1 reference

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Computational Alchemy To Calculate Absolute Protein−Ligand Binding Free Energy

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Identification of a functional water channel in cytochrome P450 enzymes.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Electrostatic control of the substrate access channel in cytochrome P-450cam.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

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A role for Thr 252 in cytochrome P450cam oxygen activation

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7 January 2021

A 175-psec molecular dynamics simulation of camphor-bound cytochrome P-450cam

1 reference

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7 January 2021

Active-site mobility inhibits reductive dehalogenation of 1,1,1-trichloroethane by cytochrome P450cam

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Protein hydration elucidated by molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Active site dynamics in protein molecules: a stochastic boundary molecular-dynamics approach.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

The missing term in effective pair potentials

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Structure of ubiquitin refined at 1.8 A resolution

1 reference

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7 January 2021

WHAT IF: a molecular modeling and drug design program

1 reference

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7 January 2021

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

High-resolution crystal structure of cytochrome P450cam

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Exceptionally stable salt bridges in cytochrome P450cam have functional roles.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

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

1 reference

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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%2FS0301-4622%2898%2900237-3

7 January 2021

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

NMR cross-relaxation investigated by molecular dynamics simulation: a case study of ubiquitin in solution.

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

The application of different solvation and electrostatic models in molecular dynamics simulations of ubiquitin: how well is the X-ray structure "maintained"?

1 reference

https://api.crossref.org/works/10.1016%2FS0301-4622%2898%2900237-3

7 January 2021

Diffusion of solvent around biomolecular solutes: a molecular dynamics simulation study

1 reference

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7 January 2021

10.1016/S0301-4622(98)00237-3

Identifiers

DOI

1 reference

8 April 2018

1 reference

8 April 2018