Results 131 to 140 of about 2,267 (207)

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

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

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

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

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

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

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

Paired Simulations and Experimental Investigations into the Calcium-Dependent Conformation of Albumin. [PDF]

J Chem Inf Model, 2022
Patel D, Haag SL, Patel JS, Ytreberg FM, Bernards MT.   +4 more
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

Rotamer-Resolved Vibronic and Cationic Properties of <i>m</i>-Aminostyrene: A Combined 2C-REMPI, Hole-Burning, and MATI Study. [PDF]

Molecules
Wang R, Qin X, Zhang K, Zhao Y, Li C, Jia S.   +5 more
europepmc   +1 more source