Laboratorio de Bioinformática, Facultad de Ciencias Químico-Biológicas, Universidad Autónoma de Sinaloa (FCQB-UAS), Blvd. de las Américas y Josefa Ortiz de Domínguez s/n. Ciudad Universitaria, Culiacán Sinaloa, México.
Centro de Investigación y de Estudios Avanzados del IPN (CINVESTAV -IPN), Mexico City, México.
J Biomol Struct Dyn. 2020 Feb;38(2):597-603. doi: 10.1080/07391102.2019.1578693. Epub 2019 Apr 26.
AbbreviationsSAHAsuberoylanilide hydroxamic acidEhHDACHistone Deacetylase from RgRadius of gyrationRMSDroot-mean-square deviationRMSFroot-mean-square fluctuationMDSmolecular dynamics simulationVMDVisual Molecular DynamicsNAMDNanoscale Molecular DynamicsPBCperiodic boundary conditionsPMEParticle Mesh Ewald3Dthree-dimensionalCαalpha carbonFDAFood and Drug AdministrationnsnanosecondsGPU CUDAGraphics Processing Unit Compute Unified Device ArchitectureCommunicated by Ramaswamy H. Sarma.
缩写SAHA亚硝酰基乙酰苯胺EhHDAC来自 Rg 的组蛋白去乙酰化酶回旋半径 RMSD均方根偏差 RMSF均方根波动 MDS分子动力学模拟 VMD可视化分子动力学 NAMD纳米分子动力学 PBC周期性边界条件 PME粒子网格 Ewald3D 三维 Cαα 碳原子 FDA食品和药物管理局 ns纳秒 GPU CUDA 图形处理单元计算统一设备架构 由 Ramaswamy H. Sarma 交流。
