官方服务:
资源简介:
Starting configuration of 512 DPPC/ 14808 water bilayer. A united atom .pdb file (after a couple of ps run).
应用场景:
相关数据集
Training and Validation of a Liquid-Crystalline Phospholipid Bilayer Force Field
We present a united-atom model (gb-fb15) for the molecular dynamics simulation of hydrated liquid-crystalline dipalmitoylphosphatidylcholine (DPPC) phospholipid bilayers. This model was constructed th
Figshare2016-11-21 更新100
MD simulation of POPC bilayer with OPLS4 force field. 7.5 w/l.
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS4 force field. 7.5 w/l Dataset contains original desmond trajectories (_trj), topologies (-out.cms), input files (.cf
NIAID Data Ecosystem70
A Systematically Coarse-Grained Solvent-Free Model for Quantitative Phospholipid Bilayer Simulations
A Systematically Coarse-Grained Solvent-Free Model for Quantitative Phospholipid Bilayer Simulations
NIAID Data Ecosystem60
MD Simulation data for a pure POPE bilayer with AMOEBA force field + OpenMM
MD simulation data for the POPE bilayer with the AMOEBA-based force field developed by Li (https://doi.org/10.1080/00268976.2018.1436201). The simulation contains 72 POPE lipids and 2880 water molec
NIAID Data Ecosystem90
A Systematically Coarse-Grained Solvent-Free Model for Quantitative Phospholipid Bilayer Simulations
We present an implicit solvent coarse-grained (CG) model for quantitative simulations of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) bilayers. The absence of explicit solvent enables membr
NIAID Data Ecosystem70



