(Q45345552)

13 December 2017

title

Refinement of the application of the GROMOS 54A7 force field to β-peptides (English)

1 reference

13 December 2017

0 references

Wilfred F van Gunsteren

series ordinal

2

object named as

Wilfred F van Gunsteren

1 reference

13 December 2017

Zhixiong Lin

1

1 reference

13 December 2017

publication date

7 October 2013

1 reference

Journal of Computational Chemistry

13 December 2017

published in

1 reference

13 December 2017

volume

34

1 reference

13 December 2017

issue

32

1 reference

13 December 2017

page(s)

2796-2805

1 reference

Molecular dynamics: survey of methods for simulating the activity of proteins

13 December 2017

cites work

1 reference

Biomolecular modeling: Goals, problems, perspectives

21 January 2018

1 reference

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

21 January 2018

1 reference

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

1 reference

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

21 January 2018

1 reference

A new force field for simulating phosphatidylcholine bilayers

21 January 2018

1 reference

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

21 January 2018

1 reference

Validation of the GROMOS 54A7 Force Field with Respect to β-Peptide Folding

21 January 2018

1 reference

Refining the description of peptide backbone conformations improves protein simulations using the GROMOS 53A6 force field

21 January 2018

1 reference

Helical content of a β(3)-octapeptide in methanol: molecular dynamics simulations explain a seeming discrepancy between conclusions derived from CD and NMR data

21 January 2018

1 reference

GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories

21 January 2018

1 reference

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

21 January 2018

1 reference

Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: influence on the folding properties of two beta-peptides in methanol

21 January 2018

1 reference

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

21 January 2018

1 reference

Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software

21 January 2018

1 reference

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23459

1 reference

13 December 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference