(Q56225271)

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30 January 2020

title

Definition and testing of the GROMOS force-field versions 54A7 and 54B7 (English)

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30 January 2020

4

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30 January 2020

Alan Mark

6

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30 January 2020

Wilfred F van Gunsteren

7

object named as

Wilfred F van Gunsteren

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30 January 2020

author name string

Nathan Schmid

1

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30 January 2020

Alexandra Choutko

3

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30 January 2020

Moritz Winger

5

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30 January 2020

Andreas P Eichenberger

2

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30 January 2020

publication date

30 April 2011

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European Biophysics Journal

30 January 2020

published in

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30 January 2020

volume

40

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30 January 2020

issue

7

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30 January 2020

page(s)

843-856

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https://scigraph.springernature.com/pub.10.1007/s00249-011-0700-9

30 January 2020

exact match

0 references

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Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.

21 January 2018

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The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

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Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

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Contact Electron‐Spin Coupling of Nuclear Magnetic Moments

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

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A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

21 January 2018

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Validation of the 53A6 GROMOS force field

21 January 2018

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A new force field for simulating phosphatidylcholine bilayers

21 January 2018

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

21 January 2018

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An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

21 January 2018

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A refined solution structure of hen lysozyme determined using residual dipolar coupling data

21 January 2018

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Molecular basis of coiled-coil formation

21 January 2018

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AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

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Molecular dynamics with coupling to an external bath

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Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance

21 January 2018

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12 December 2020

Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

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Are NMR-derived model structures for beta-peptides representative for the ensemble of structures adopted in solution?

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1.6 A crystal structure of the secreted chorismate mutase from Mycobacterium tuberculosis: novel fold topology revealed

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Calibration of the angular dependence of the amide proton-C alpha proton coupling constants, 3JHN alpha, in a globular protein. Use of 3JHN alpha for identification of helical secondary structure

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12 December 2020

10.1007/S00249-011-0700-9

Identifiers

DOI

1 reference

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30 January 2020

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