发明名称 |
Method and apparatus for predicting structure of transmembrane proteins |
摘要 |
Computer-implemented methods and apparatus implementing a hierarchical protocol using multiscale molecular dynamics and molecular modeling methods to predict the structure of transmembrane proteins such as G-Protein Coupled Receptors, and protein structural models generated according to the protocol. The protocol features a combination of coarse grain sampling methods, such as hydrophobicity analysis, followed by coarse grain molecular dynamics and atomic level molecular dynamics, including accurate continuum solvation, to provide a fast and accurate procedure for predicting GPCR tertiary structure.
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申请公布号 |
US2007038379(A1) |
申请公布日期 |
2007.02.15 |
申请号 |
US20010816755 |
申请日期 |
2001.03.23 |
申请人 |
VAIDEHI NAGARAJAN;FLORIANO WELY B;SINGER MICHAEL;SHEPHERD GORDON;GODDARD WILLIAM A III |
发明人 |
VAIDEHI NAGARAJAN;FLORIANO WELY B.;SINGER MICHAEL;SHEPHERD GORDON;GODDARD WILLIAM A.III |
分类号 |
G01N33/48;G01N33/50;G06F17/11;G06F17/50;G06F19/16 |
主分类号 |
G01N33/48 |
代理机构 |
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