课题基金 / 基金详情

SCORING W/ SOLVATION CORRECTION

SCORING W/ SOLVATION CORRECTION
使用溶剂化校正进行评分
批准号：
6280313
负责人：
XIAOQIN ZOU
金额：
$0.59万
依托单位：
UNIVERSITY OF CALIFORNIA, SAN FRANCISCO
依托单位国家：
美国
项目类别：
财政年份：
1998
资助国家：
美国
项目状态：
已结题
起止时间：
1998-07-01 至 1999-06-30
来源：
https://reporter.nih.gov/project-details/6280313
关键词：
biological products biomedical resource proteins

项目摘要

项目成果

XIAOQIN ZOU的其他基金

相似基金

相关文献

中文摘要
翻译
点击翻译按钮获取中文摘要
英文摘要
Solvation has been a long standing problem for structure-based drug design. We have implemented the generalized-Born (GB) model to DOCK. The GB model provides a good balance between computational speed and accuracy in solvationcalculations. We have derived a formula to calculate the binding energy. To improve the computational speed, the protein contribution to screening is pre-calculated and stored on a grid. The refinement of the ligand position is necessary to optimize the non-bonded interactions between ligand and receptor. Our implemented GB algorithm takes ~10 second per orientation on a Silicon Graphics Indigo2 workstation. The solvation scoring can be used as a post-DOCK database screening. Two systems have been tested: Dihydrofolate Reductase (4dfr), and trypsin. Our results show good improvement as compared with the results from current force field scoring. The Computer Graphics Laboratory facilities have been used for molecular graphic displays.
期刊论文(0)
专著(0)
科研奖励(0)
会议论文
Structure prediction and in silico screening of protein-peptide interactions
  • 批准号：
    10613885
  • 项目类别：
  • 资助金额：
    $38.33万
  • 财政年份：
    2020
  • 负责人：
    XIAOQIN ZOU
  • 依托单位：
    UNIVERSITY OF MISSOURI-COLUMBIA
Structure prediction and in silico screening of protein-peptide interactions
  • 批准号：
    10394298
  • 项目类别：
  • 资助金额：
    $38.33万
  • 财政年份：
    2020
  • 负责人：
    XIAOQIN ZOU
  • 依托单位：
    UNIVERSITY OF MISSOURI-COLUMBIA
Structure prediction and in silico screening of protein-peptide interactions
  • 批准号：
    10605034
  • 项目类别：
  • 资助金额：
    $5.44万
  • 财政年份：
    2020
  • 负责人：
    XIAOQIN ZOU
  • 依托单位：
    UNIVERSITY OF MISSOURI-COLUMBIA
Database and software development for protein-nucleic acid structure predication
  • 批准号：
    8994737
  • 项目类别：
  • 资助金额：
    $28.31万
  • 财政年份：
    2015
  • 负责人：
    XIAOQIN ZOU
  • 依托单位：
    UNIVERSITY OF MISSOURI-COLUMBIA
海外基金