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Trajectories dataTrajectories of WW domain
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2020-04-23
相关数据集
Molecular dynamics results in salt water.
Solvation energies for each amino acid odorant in salt water and mucus, which were used to calculate the salt water/mucus odorant partition coefficients.
Figshare2015-12-02 更新40
Research data supporting: "Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling"
This repository contains the set of data shown in the paper "Detecting dynamic domains and local fluctuations in complex molecular systems via timelapse neighbors shuffling" published on PNAS (DOI: 10
Zenodo2023-06-27 更新00
Averaging positions, velocities, forces, etc., for atoms in crystallographic layers
A self-explanatory Perl script with sample data files to work with. Useful for data analysis of lammps' dump files. Has been used in: Zbigniew Kozioł, Stretched-exponential stress dynamics in chain of
Mendeley Data20
GROMACS input files
Input files for GROMACS with enforced rotation applied to the C-terminal amino acid of a peptide. See https://doi.org/10.12688/f1000research.28175.1 for more details.
Zenodo2021-03-03 更新10
