相关数据集
Nonequilibrium Dynamics Simulations of Nitric Oxide Release: Comparative Study of Nitrophorin and Myoglobin
Nitrophorin 4 (NP4) is a heme protein that reversibly binds nitric oxide (NO), with release rates modulated by pH change. High-resolution structures of NP4 revealed that pH changes and NO binding indu
NIAID Data Ecosystem60
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.
Figshare2015-12-02 更新10
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)
Zenodo2020-09-18 更新00
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
Figshare2016-04-21 更新10
empty_60SDS_micelle_CHARMM36_OPC_10fsSF_293K_replica1
empty_60SDS_micelle_CHARMM36_OPC_10fsSF_293K_replica1
Zenodo2024-01-16 更新00
