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资源简介：
POPC simulation parameterized with Sage2.2.1.core.offxml
应用场景：
创建时间：
2025-01-21
相关数据集
WibBondIndexData.zip
This dataset is released in conjunction with the paper “Bond Order Predictions Using Deep Neural Networks." The dataset consists of 436,938 ordinary organic molecules, their geometries, and bond order
NIAID Data Ecosystem10
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
