Results 121 to 130 of about 3,355 (200)

Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS. [PDF]

PLoS One, 2023
Niranjan V, Rao P, Uttarkar A, Kumar J.
europepmc   +1 more source

Molecular Dynamics Simulations of Liposomes: Structure, Dynamics, and Applications. [PDF]

Membranes (Basel)
Khodadadi E, Khodadadi E, Chaturvedi P, Moradi M.   +3 more
europepmc   +1 more source

Recent advances in machine learning and coarse-grained potentials for biomolecular simulations. [PDF]

Biophys J
Poma AB, Hinostroza Caldas A, Cofas-Vargas LF, Jones MS, Ferguson AL, Medrano Sandonas L.   +5 more
europepmc   +1 more source

A homogeneous dataset of polyglutamine and glutamine rich aggregating peptides simulations. [PDF]

Data Brief, 2021
Barrera EE, Pantano S, Zonta F.
europepmc   +1 more source

Improved Method for Quantitative Measurement of OH Radicals Based on Absorption Spectroscopy. [PDF]

Molecules
Yang X, Cui J, Ma R, Yue L, Yin Y, Qi J, Xu Y, Xu B, Zhu L.   +8 more
europepmc   +1 more source

Effects of All-Atom and Coarse-Grained Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of a Tau K18 Monomer. [PDF]

J Chem Inf Model
He X, Man VH, Gao J, Wang J.
europepmc   +1 more source

The automated optimisation of a coarse-grained force field using free energy data.

Phys Chem Chem Phys, 2021
Caceres-Delpiano J, Wang LP, Essex JW.
europepmc   +1 more source

A Practical Guide to All-Atom and Coarse-Grained Molecular Dynamics Simulations Using Amber and Gromacs: A Case Study of Disulfide-Bond Impact on the Intrinsically Disordered Amyloid Beta. [PDF]

Int J Mol Sci
Smardz P, Anila MM, Rogowski P, Li MS, Różycki B, Krupa P.   +5 more
europepmc   +1 more source

Identification of neuronatin as a SERCA2b regulin-like protein and assessment of its aggregation propensity via coarse grained simulations. [PDF]

PLoS One
Ben Mariem O, Coppi L, De Fabiani E, Eberini I, Crestani M.   +4 more
europepmc   +1 more source

The SIRAH-CoV-2 Initiative: A Coarse-Grained Simulations' Dataset of the SARS-CoV-2 Proteome. [PDF]

Front Med Technol, 2021
Garay PG, Barrera EE, Klein F, Machado MR, Soñora M, Pantano S.   +5 more
europepmc   +1 more source