New functionalities in the GROMOS biomolecular simulation software
about
Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange ProcessALMOST: an all atom molecular simulation toolkit for protein structure determination.Deriving Structural Information from Experimentally Measured Data on Biomolecules.Solvating atomic level fine-grained proteins in supra-molecular level coarse-grained water for molecular dynamics simulations.Recent advances in computational predictions of NMR parameters for the structure elucidation of carbohydrates: methods and limitations.Multi-resolution simulation of biomolecular systems: a review of methodological issues.Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons.Fitting alignment tensor components to experimental RDCs, CSAs and RQCs.Molecular dynamics simulation of thionated hen egg white lysozyme.MDN: A Web Portal for Network Analysis of Molecular Dynamics Simulations.Coarse-grained models for the solvents dimethyl sulfoxide, chloroform, and methanol.Influence of variation of a side chain on the folding equilibrium of a β-peptide: limitations of one-step perturbation.Effect of the cosolutes trehalose and methanol on the equilibrium and phase-transition properties of glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulations.A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method.On the ambiguity of conformational states: A B&S-LEUS simulation study of the helical conformations of decaalanine in water.Orthogonal sampling in free-energy calculations of residue mutations in a tripeptide: TI versus λ-LEUS.Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.Bestimmung von Strukturinformation aus experimentellen Messdaten für BiomoleküleMixing coarse-grained and fine-grained water in molecular dynamics simulations of a single systemTemperature Dependence of the Dielectric Permittivity of Acetic Acid, Propionic Acid and Their Methyl Esters: A Molecular Dynamics Simulation StudyA molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds
P2860
Q28817434-DBF46269-BFB5-4F1D-980A-A6256796C9D1Q30360709-ED32A2E0-47C7-4749-9665-9EED22C0033FQ31143273-123B7DCE-5DB1-4BC3-BDD3-4A378ED0F036Q34338043-33AACDE4-0E4B-4F48-91D1-3ABF84FE70CCQ34359877-3DF3E7E0-0B54-49F4-858E-5750D867E86CQ38082490-9EC62FF9-6A52-4B5C-AFD3-BED6B3A0DDCAQ38847957-147558E4-8BE6-42FE-9BE1-42024F7F5175Q40652965-C2F59DAF-8BB9-4379-A5AB-5D46188BB1C6Q41477309-B0AF70DB-5E20-4DE7-A6EC-CFFACBFAFBAFQ41876485-599A078F-1AFA-4D0B-BB5E-5ACAB3999A96Q42585066-F0E93468-3B75-4130-94D4-667DB746932CQ44682219-FFA692F9-F818-499C-81B7-5D3AA3A83D93Q46226471-1BB33768-7BAA-451B-B2AC-CFD1264D7FB8Q46848480-457658F0-8DCD-4698-AC89-A4FF7075BDE7Q48193566-7118D274-F110-4F4B-863F-F46B17418E31Q50737682-756FC553-2C8A-420A-A13E-4CBDE3C6B811Q53435617-4552B954-16BE-453F-BDF4-17241C6A1DD5Q54219744-DAF79EAB-E107-4536-A5FD-9D4DF2530820Q57204634-D5EFF8FB-3374-4233-AFC8-6C3EC440716EQ57235419-AAACA30A-088B-420F-B14C-48E685339686Q57235420-BAC88578-7645-400F-A135-4810AB71C2FDQ58708495-293D4244-9CC9-48F5-98F8-6E7E36ACDFCD
P2860
New functionalities in the GROMOS biomolecular simulation software
description
im November 2011 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 11 November 2011
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 2011
@uk
name
New functionalities in the GROMOS biomolecular simulation software
@en
New functionalities in the GROMOS biomolecular simulation software
@nl
type
label
New functionalities in the GROMOS biomolecular simulation software
@en
New functionalities in the GROMOS biomolecular simulation software
@nl
prefLabel
New functionalities in the GROMOS biomolecular simulation software
@en
New functionalities in the GROMOS biomolecular simulation software
@nl
P2093
P2860
P50
P356
P1476
New functionalities in the GROMOS biomolecular simulation software
@en
P2093
Anna-Pitschna E Kunz
Nathan Schmid
Wilfred F van Gunsteren
P2860
P304
P356
10.1002/JCC.21954
P577
2011-11-11T00:00:00Z