MOLECULAR DYNAMICS SIMULATION OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE AND I
大肠杆菌二氢叶酸还原酶和I的分子动力学模拟
基本信息
- 批准号:7601319
- 负责人:
- 金额:$ 0.03万
- 依托单位:
- 依托单位国家:美国
- 项目类别:
- 财政年份:2007
- 资助国家:美国
- 起止时间:2007-08-01 至 2008-07-31
- 项目状态:已结题
- 来源:
- 关键词:AddressAmino Acid SequenceBiologicalClassificationComputer Retrieval of Information on Scientific Projects DatabaseDHFR geneDihydrofolate ReductaseElementsEscherichia coliFundingGrantIndiumInstitutionLifeObject AttachmentOrganismPeptide Sequence DeterminationPeptidesPlayPositioning AttributeProteinsRelative (related person)ResearchResearch PersonnelResourcesRoleSourceStructureTemperatureUnited States National Institutes of HealthVariantVertebral columnabstractingdesignmolecular dynamicsprotein foldingprotein structure predictionthree dimensional structure
项目摘要
This subproject is one of many research subprojects utilizing the
resources provided by a Center grant funded by NIH/NCRR. The subproject and
investigator (PI) may have received primary funding from another NIH source,
and thus could be represented in other CRISP entries. The institution listed is
for the Center, which is not necessarily the institution for the investigator.
UW PICO(tm) 4.0 File: mcb030036p.abs
Keywords:
molecular dynamics
Abstract:
Proteins play an important biological role in all living organisms.
Understanding protein folding is a key element in addressing a
structure-function correlation in biological molecules. Being able to
predict how a given protein sequence folds into a three dimensional
structure is expected to have a significant impact on protein structure
prediction and protein design. While the backbone plays a key role in
protein folding, not every peptide bond is required for a protein to fold.
A systematic analysis is necessary to identify regions essential for a
protein to fold. Analysis of the effects of cleavage at all positions
along the sequence on the structure will reveal the distribution of the
folding elements within the primary structure. We are carrying out
molecular dynamics simulations of the native DHFR from Escherichia coli
and several of its circular permuted variants at standar temperature in
order to assign the folding elements and to study their relative
stabilities.
这个子项目是许多研究子项目中利用
资源由NIH/NCRR资助的中心拨款提供。子项目和
调查员(PI)可能从NIH的另一个来源获得了主要资金,
并因此可以在其他清晰的条目中表示。列出的机构是
该中心不一定是调查人员的机构。
UW Pico(Tm)4.0文件:mcb030036p.abs
关键词:
分子动力学
摘要:
蛋白质在所有生物中都扮演着重要的生物角色。
了解蛋白质折叠是解决问题的关键因素
生物分子中的结构-功能相关性。能够
预测一个给定的蛋白质序列如何折叠成三维的
结构有望对蛋白质结构产生重大影响
预测和蛋白质设计。虽然主干在
蛋白质折叠,并不是每个肽键都是蛋白质折叠所必需的。
有必要进行系统的分析,以确定对
蛋白质可以折叠。卵裂在各部位的效果分析
沿着该结构上的序列将揭示该物种的分布
初级结构内的折叠元件。我们正在进行
大肠埃希菌天然DHFR的分子动力学模拟
和它的几个在标准温度下的圆形置换变体
对折叠元素的归属及其亲缘关系的研究
稳定性。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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William M. Southerland其他文献
Molecular Docking Studies on Streptomycin Antileishmanial Activity
链霉素抗利什曼活性的分子对接研究
- DOI:
- 发表时间:
2024 - 期刊:
- 影响因子:0
- 作者:
Todd A. Young;Matthew George Jr.;A. Gugssa;William M. Southerland;Yayin Fang;Clarence M. Lee - 通讯作者:
Clarence M. Lee
Interaction Energy Analysis of Nonclassical Antifolates with Human Dihydrofolate Reductase
- DOI:
10.1007/pl00010742 - 发表时间:
2000-06-01 - 期刊:
- 影响因子:2.500
- 作者:
Conrad Pitts;Donnell Bowen;William M. Southerland - 通讯作者:
William M. Southerland
William M. Southerland的其他文献
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{{ truncateString('William M. Southerland', 18)}}的其他基金
CENTER FOR COMPUTATIONAL BIOLOGY & BIOINFORMATICS (CCBB)
计算生物学中心
- 批准号:
8357119 - 财政年份:2011
- 资助金额:
$ 0.03万 - 项目类别:
CENTER FOR COMPUTATIONAL BIOLOGY & BIOINFORMATICS (CCBB)
计算生物学中心
- 批准号:
8166193 - 财政年份:2010
- 资助金额:
$ 0.03万 - 项目类别:
LABORATORY OF MOLECULAR COMPUTATIONS AND BIOINFORMATICS
分子计算与生物信息学实验室
- 批准号:
7959222 - 财政年份:2009
- 资助金额:
$ 0.03万 - 项目类别:
MOLECULAR DYNAMICS SIMULATION OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE AND I
大肠杆菌二氢叶酸还原酶和I的分子动力学模拟
- 批准号:
7956088 - 财政年份:2009
- 资助金额:
$ 0.03万 - 项目类别:
MOLECULAR DYNAMICS SIMULATION OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE AND I
大肠杆菌二氢叶酸还原酶和I的分子动力学模拟
- 批准号:
7723135 - 财政年份:2008
- 资助金额:
$ 0.03万 - 项目类别:
LABORATORY OF MOLECULAR COMPUTATIONS AND BIOINFORMATICS
分子计算与生物信息学实验室
- 批准号:
7715362 - 财政年份:2007
- 资助金额:
$ 0.03万 - 项目类别:
LABORATORY OF MOLECULAR COMPUTATIONS AND BIOINFORMATICS
分子计算与生物信息学实验室
- 批准号:
7561460 - 财政年份:2007
- 资助金额:
$ 0.03万 - 项目类别:
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