PARALLEL PROCESSING RESOURCE FOR BIOMEDICAL SCIENTISTS
PARALLEL PROCESSING RESOURCE FOR BIOMEDICAL SCIENTISTS
批准号:
6330636
负责人:
THOMAS F COLEMAN
金额:
$90.39万
依托单位:
依托单位国家:
美国
项目类别:
财政年份:
1992
资助国家:
美国
项目状态:
已结题
起止时间:
1992-04-15 至 2001-11-30
中文摘要
生物医学科学中存在着许多复杂的问题
英文摘要
A multitude of problems exist in biomedical science that are too complex to
be solved by experimentation or mainframe power. Among these, the
structure of biologically important macromolecules is a preeminent one.
Obvious examples are the interferons, the products of all but one proto-
oncogene, and all receptors for hormones and other biological messengers.
Computation modeling fills the gap left by experimental methods and yields
insights into mechanisms and structures. The computational resources
described in this proposal are uniquely suited to examine the biological
effects of these molecules. More specifically, the aims of the Cornell
Theory Center NIH Resource are:
o To build on the strengths of the Theory Center to promote collaborative
research endeavors among biologists, chemists, physicists, computer
scientists, and numerical mathematicians, pushing algorithm developments
and software advances that will lay the basis for further advances in
biomedical science;
o To provide to biomedical researchers access to highly parallel computing
environments that have the potential to achieve very high levels of
computing power at new levels of flexibility and cost/performance and which
are easily duplicated in researchers' laboratories;
o To achieve scientific advances in protein folding and the study of other
biologically active macromolecules areas that would be impossible without
the computing capability of the Resource;
o To develop methodologies and assess existing methodologies for writing
programs to make portability between parallel systems possible, so that
newer and more powerful machines can immediately be put to use;
o To broadly disseminate the results both of research conducted on the
Resource and technological developments within it;
o To use the knowledge gained from developing biomedical molecular
structure applications for highly parallel systems to further enhance
parallel technology.
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Size-restricted proton transfer within toluene-methanol cluster ions.
甲苯-甲醇簇离子内尺寸限制的质子转移。
DOI:
10.1021/jp8041186
发表时间:
2008
期刊:
The journal of physical chemistry. A
影响因子:
--
作者:
[Chiang,Chi-Tung, Shores,KevinS, Freindorf,Marek, Furlani,Thomas, DeLeon,RobertL, Garvey,JamesF]
通讯作者:
Garvey,JamesF
Evolution of physics-based methodology for exploring the conformational energy landscape of proteins.
用于探索蛋白质构象能量景观的基于物理的方法的演变。
DOI:
10.1002/jcc.1154
发表时间:
2002
期刊:
Journal of computational chemistry.
影响因子:
--
作者:
[Scheraga,HaroldA, Pillardy,Jaroslaw, Liwo,Adam, Lee,Jooyoung, Czaplewski,Cezary, Ripoll,DanielR, Wedemeyer,WilliamJ, Arnautova,YelenaA]
通讯作者:
Arnautova,YelenaA
Physical reasons for the unusual alpha-helix stabilization afforded by charged or neutral polar residues in alanine-rich peptides.
富含丙氨酸的肽中带电或中性极性残基提供不寻常的α螺旋稳定化的物理原因。
DOI:
10.1073/pnas.240455797
发表时间:
2000
期刊:
Proceedings of the National Academy of Sciences of the United States of America
影响因子:
11.1
作者:
[Vila,JA, Ripoll,DR, Scheraga,HA]
通讯作者:
Scheraga,HA
DOI:
10.1002/(sici)1097-0282(199808)46:2
发表时间:
1998-08
期刊:
Biopolymers
影响因子:
2.9
作者:
[A. Mandell;M. Owens;K. Selz;W. N. Morgan;M. Shlesinger;C. Nemeroff]
通讯作者:
A. Mandell;M. Owens;K. Selz;W. N. Morgan;M. Shlesinger;C. Nemeroff
Conformation-family Monte Carlo: a new method for crystal structure prediction.
构象族蒙特卡罗:晶体结构预测的新方法。
DOI:
10.1073/pnas.231479298
发表时间:
2001
期刊:
Proceedings of the National Academy of Sciences of the United States of America
影响因子:
11.1
作者:
[Pillardy,J, Arnautova,YA, Czaplewski,C, Gibson,KD, Scheraga,HA]
通讯作者:
Scheraga,HA
共 9 条
IMAGE SEGMENT FOR LUNG NODULE DETECTION USING CONSTRAINED OPTIMIZATION
-
批准号:6411729
-
项目类别:
-
资助金额:$1.29万
-
财政年份:2000
-
负责人:THOMAS F COLEMAN
-
依托单位:
IMAGE SEGMENT FOR LUNG NODULE DETECTION USING CONSTRAINED OPTIMIZATION
-
批准号:6309550
-
项目类别:
-
资助金额:$2.43万
-
财政年份:1999
-
负责人:THOMAS F COLEMAN
-
依托单位:
SEGMENTATION OF PULMONARY NODULE IMAGES USING TOTAL VARIATION MINIMIZATION
-
批准号:6121972
-
项目类别:
-
资助金额:$4.5万
-
财政年份:1998
-
负责人:THOMAS F COLEMAN
-
依托单位:
COMPUTATIONAL INTEL CLUSTERS
-
批准号:6121969
-
项目类别:
-
资助金额:$1.8万
-
财政年份:1998
-
负责人:THOMAS F COLEMAN
-
依托单位:
BEAM & WAVEFORM EFFECTS IN ULTRASONIC IMAGING
-
批准号:6253042
-
项目类别:
-
资助金额:$3.61万
-
财政年份:1997
-
负责人:THOMAS F COLEMAN
-
依托单位:
IMAGE SEGMENT FOR LUNG NODULE DETECTION USING CONSTRAINED OPTIMIZATION
-
批准号:6282172
-
项目类别:
-
资助金额:$4.25万
-
财政年份:1997
-
负责人:THOMAS F COLEMAN
-
依托单位:
PARALLEL PROCESSING RESOURCE FOR BIOMEDICAL SCIENTISTS
-
批准号:6126303
-
项目类别:
-
资助金额:$88.41万
-
财政年份:1992
-
负责人:THOMAS F COLEMAN
-
依托单位:
PARALLEL PROCESSING RESOURCE FOR BIOMEDICAL SCIENTISTS
-
批准号:2839484
-
项目类别:
-
资助金额:$89.98万
-
财政年份:1992
-
负责人:THOMAS F COLEMAN
-
依托单位:
海外基金