发明名称 |
Molecular modeling for metalloproteins |
摘要 |
A method for designing a metal ion for use in a molecular dynamics simulation can include the steps of building a metal ion molecule having a center atom and a dummy atom, assigning a van der Waals radius to the center atom, and assigning a charge to the dummy atom. A metal ion molecule may have the center atom covalently linked to one or more dummy atoms resulting in the metal ion molecule having a polyhedron geometry. New force field parameters may be used in methods for designing metal ions for use in molecular dynamics simulations. |
申请公布号 |
AU5743600(A) |
申请公布日期 |
2001.01.09 |
申请号 |
AU20000057436 |
申请日期 |
2000.06.16 |
申请人 |
MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH |
发明人 |
YUAN-PING PANG |
分类号 |
C07K14/79;C12N9/48;C12N9/88 |
主分类号 |
C07K14/79 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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