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MD trajectory used for holistic HYSCORE simulation approach.
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创建时间：
2021-06-11
相关数据集
Restriction of access to the central cavity is a major contributor to substrate selectivity in plant ABCG transporters
The input and main output files used for the paper "Restriction of access to the central cavity is a major contributor to substrate selectivity in plant ABCG transporters" are separated in the differe
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The calculation of coulomb and Leonard-Jones potentials in the repetitive simulations.
Each value indicates the average energy for 20 ns MD simulation and given in kJ/mol.
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Molecular Dynamic Trajectory Of Magnesium Binding Wild Type For The Article "Ca 2+ Binding To F-Atp Synthase Β Subunit Triggers The Mitochondrial Permeability Transition"
ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding magnesium: 50ns trajectory (ATPsynth_woh2o_Mg_wt.dcd) and corresponding psf file (ATPsynth_mg_wt.psf)
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Pub1-PRE experimental data.zip
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
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empty_60SDS_micelle_CHARMM36_OPC_10fsSF_293K_replica1
empty_60SDS_micelle_CHARMM36_OPC_10fsSF_293K_replica1
Zenodo2024-01-16 更新00
