MD simulation of Rational Design of Hydrophobic Deep Eutectic Solvents Tunes the Catalytic Pocket of Lipase for the Sustainable Synthesis of Structural Lipids
收藏官方服务：
资源简介：
FF: AMBER14sb_parmbsc1Engine: GROMACS 5.1.4 DES Trajectory length: 100 nsSystem: 1 Protein + 286 SOL + 1 MCT + 600 Cyclohexanone + 300 Lauricacid +1 NA DMSO Trajectory length: 100 nsSystem: 1 Protein + 286 SOL + 1 MCT + 2000 DMSO + 1 NA
提供机构：
Zenodo创建时间：
2026-01-01
