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Membrane Protein Simulation with Desmond
热度 1 袁曙光 2011-6-25 02:59
Membrane Protein Simulation with Desmond
Desmond supports algorithms typically used to perform fast and accurate molecular dynamics. Long-range electrostatic energy and forces can be calculated using particle-mesh-based Ewald techniques.Constraints can be enforced using the M-SHAKE algorithm. These approaches can be used in combination w ...
个人分类: 科研笔记|8295 次阅读|1 个评论 热度 1
humor at conference
热度 2 袁曙光 2011-5-24 21:22
Recently, I am attendinga conference in Utrecht, Netherlands. Some speakers (PhD student)made mistakes during the presentation. Although scientists are quit serious for most cases, they still have humors: 1. one speaker madespellingmistakes for his institut ...
个人分类: 科研笔记|2855 次阅读|6 个评论 热度 2
Science Arts
热度 3 袁曙光 2011-5-22 20:11
Science Arts
Protein-ligand interaction Membrane protein Induced Fit docking
个人分类: 科研笔记|4472 次阅读|1 个评论 热度 3
Is 5Å big enough for your docking grid box?
袁曙光 2011-5-12 03:04
Is 5Å big enough for your docking grid box?
Recently, I am preparing a manual script for previous work. When someone read it he claimed in the email: "your gird box for docking is too small to include the whole molecule. I measure the distance between two atoms in the ligand and it is11 Å , but you defined y ...
个人分类: 科研笔记|3407 次阅读|没有评论
Potential Molecular Modelling Journal IF
热度 1 袁曙光 2011-4-26 22:25
PLOS COMPUTATIONAL BIOLOGY PLOS COMPUT BIOL 5.8 CHEMISTRY-A EUROPEAN JOURNAL  CHEM-EUR J 5.3 CURRENT MEDICINAL CHEMISTRY CURR MED CHEM &nbs ...
个人分类: 科研笔记|2794 次阅读|1 个评论 热度 1

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