concerted rotation Latest Research Papers

Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b00714 ◽

2017 ◽

Vol 13 (11) ◽

pp. 5709-5720 ◽

Cited By ~ 2

Author(s):

Xingqing Xiao ◽

Yiming Wang ◽

Joshua N. Leonard ◽

Carol K. Hall

Keyword(s):

Sampling Efficiency ◽

Peptide Design ◽

Design Algorithm ◽

Rotation Technique ◽

Concerted Rotation

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Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques

Journal of Chemical Theory and Computation ◽

10.1021/ct5008247 ◽

2015 ◽

Vol 11 (2) ◽

pp. 740-752 ◽

Cited By ~ 7

Author(s):

Xingqing Xiao ◽

Paul F. Agris ◽

Carol K. Hall

Keyword(s):

Monte Carlo ◽

Search Algorithm ◽

Mean Field ◽

Flexible Chain ◽

Self Consistent ◽

Chain Conformations ◽

Concerted Rotation

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Polypeptide Folding Using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation

Journal of the American Chemical Society ◽

10.1021/ja0378862 ◽

2004 ◽

Vol 126 (6) ◽

pp. 1849-1857 ◽

Cited By ~ 53

Author(s):

Jakob P. Ulmschneider ◽

William L. Jorgensen

Keyword(s):

Monte Carlo ◽

Monte Carlo Sampling ◽

Continuum Solvation ◽

Polypeptide Folding ◽

Concerted Rotation

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Compact surface-cluster diffusion by concerted rotation and translation

Physical Review B ◽

10.1103/physrevb.61.r5125 ◽

2000 ◽

Vol 61 (8) ◽

pp. R5125-R5128 ◽

Cited By ~ 20

Author(s):

J. C. Hamilton ◽

Mads R. Sørensen ◽

Arthur F. Voter

Keyword(s):

Compact Surface ◽

Surface Cluster ◽

Cluster Diffusion ◽

Concerted Rotation

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Concerted Rotation in a Tertiary Aromatic Amide: Towards a Simple Molecular Gear

Angewandte Chemie International Edition ◽

10.1002/(sici)1521-3773(19980803)37:13/14<1937::aid-anie1937>3.0.co;2-4 ◽

1998 ◽

Vol 37 (13-14) ◽

pp. 1937-1939 ◽

Cited By ~ 71

Author(s):

Jonathan Clayden ◽

Jennifer H. Pink

Keyword(s):

Aromatic Amide ◽

Concerted Rotation

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A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

Molecular Physics ◽

10.1080/00268979300100641 ◽

1993 ◽

Vol 78 (4) ◽

pp. 961-996 ◽

Cited By ~ 199

Author(s):

L.R. Dodd ◽

T.D. Boone ◽

D.N. Theodorou

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Polymer Melts ◽

Concerted Rotation

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Reappraisal of the fluxional behavior of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)9 and evidence for the concerted rotation of the Ru(CO)2(PMe2Ph) group in the enantiomerization of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)8(PMe2Ph)

Organometallics ◽

10.1021/om00037a038 ◽

1992 ◽

Vol 11 (1) ◽

pp. 196-206 ◽

Cited By ~ 28

Author(s):

Louis J. Farrugia ◽

Shirley E. Rae

Keyword(s):

Concerted Rotation

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A MINDO/3 study of CN bond rotation in methyleneamine n-oxide; A concerted rotation-pyramidalization pathway

Tetrahedron Letters ◽

10.1016/s0040-4039(01)93066-7 ◽

1977 ◽

Vol 18 (17) ◽

pp. 1435-1438 ◽

Cited By ~ 3

Author(s):

W.Brian Jennings ◽

S.D. Worley

Keyword(s):

Bond Rotation ◽

Concerted Rotation

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concerted rotation
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TOTAL DOCUMENTS

H-INDEX

Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm

Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques

Polypeptide Folding Using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation

Compact surface-cluster diffusion by concerted rotation and translation

Concerted Rotation in a Tertiary Aromatic Amide: Towards a Simple Molecular Gear

A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

Reappraisal of the fluxional behavior of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)9 and evidence for the concerted rotation of the Ru(CO)2(PMe2Ph) group in the enantiomerization of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)8(PMe2Ph)

A MINDO/3 study of CN bond rotation in methyleneamine n-oxide; A concerted rotation-pyramidalization pathway

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concerted rotationRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Extended Concerted Rotation Technique Enhances the Sampling Efficiency of the Computational Peptide-Design Algorithm

Designing Peptide Sequences in Flexible Chain Conformations to Bind RNA: A Search Algorithm Combining Monte Carlo, Self-Consistent Mean Field and Concerted Rotation Techniques

Polypeptide Folding Using Monte Carlo Sampling, Concerted Rotation, and Continuum Solvation

Compact surface-cluster diffusion by concerted rotation and translation

Concerted Rotation in a Tertiary Aromatic Amide: Towards a Simple Molecular Gear

A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

Reappraisal of the fluxional behavior of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)9 and evidence for the concerted rotation of the Ru(CO)2(PMe2Ph) group in the enantiomerization of Ru3(.mu.-H)(.mu.3-.eta.2-C.tplbond.CBu-tert)(CO)8(PMe2Ph)

A MINDO/3 study of CN bond rotation in methyleneamine n-oxide; A concerted rotation-pyramidalization pathway

concerted rotation
Recently Published Documents