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Journal of Biomolecular Structure and Dynamics Volume 18, 2001 - Issue 5
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Original Articles

Conformational Space Comparison of GnRH and lGnRH-III using Molecular Dynamics, Cluster Analysis and Monte Carlo Thermodynamic Integration

Charles R. Watts Department of Biomedical Sciences, School of Medicine, Creighton University, 2500 California Plaza, Omaha, NE, 68178, USA
,
Mihaly Mezei Department of Physiology and Biophysics, Mount Sinai School of Medicine, NYU, New York, NY, 10029
,
Richard F. Murphy Department of Biomedical Sciences, School of Medicine, Creighton University, 2500 California Plaza, Omaha, NE, 68178, USA
&
Sándor Lovas Department of Biomedical Sciences, School of Medicine, Creighton University, 2500 California Plaza, Omaha, NE, 68178, USA
Pages 733-748 | Received 24 Aug 2000, Published online: 15 May 2012

Citations (15)

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Attila Borics, RichardF. Murphy & Sándor Lovas. (2004) Molecular Dynamics Simulations of β-turn Forming Tetra- and Hexapeptides. Journal of Biomolecular Structure and Dynamics 21:6, pages 761-770.
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Articles from other publishers (14)

Niccolò Ricardi, Cristina E. González-Espinoza, Suliman Adam, Jonathan R. Church, Igor Schapiro & Tomasz Adam Wesołowski. (2023) Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins. Journal of Chemical Theory and Computation 19:15, pages 5289-5302.
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Eleni V. Pappa, Aikaterini A. Zompra, Zoi Diamantopoulou, Zinovia Spyranti, George Pairas, Fotini N. Lamari, Panagiotis Katsoris, George A. Spyroulias & Paul Cordopatis. (2012) Structure-activity studies of lGnRH-III through rational amino acid substitution and NMR conformational studies. Biopolymers 98:6, pages 525-534.
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Marilena Manea, Ulrike Leurs, Erika Orbán, Zsuzsa Baranyai, Peter Öhlschläger, Andreas Marquardt, Ákos Schulcz, Miguel Tejeda, Bence Kapuvári, József Tóvári & Gábor Mező. (2011) Enhanced Enzymatic Stability and Antitumor Activity of Daunorubicin-GnRH-III Bioconjugates Modified in Position 4. Bioconjugate Chemistry 22:7, pages 1320-1329.
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Klaus-Peter Brüssow, Falk Schneider, Armin Tuchscherer & Wilhelm Kanitz. (2010) Influence of synthetic lamprey GnRH-III on gonadotropin release and steroid hormone levels in gilts. Theriogenology 74:9, pages 1570-1578.
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József Csontos, Richard F. Murphy & Sándor Lovas. (2008) The role of weakly polar and H‐bonding interactions in the stabilization of the conformers of FGG, WGG, and YGG; An aqueous phase computational study. Biopolymers 89:11, pages 1002-1011.
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Jianyin Shao, Stephen W. Tanner, Nephi Thompson & Thomas E. Cheatham. (2007) Clustering Molecular Dynamics Trajectories: 1. Characterizing the Performance of Different Clustering Algorithms. Journal of Chemical Theory and Computation 3:6, pages 2312-2334.
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Magdolna Kovács, Borbála Vincze, Judit E. Horváth & János Seprődi. (2007) Structure–activity study on the LH- and FSH-releasing and anticancer effects of gonadotropin-releasing hormone (GnRH)-III analogs. Peptides 28:4, pages 821-829.
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Gábor Mező, András Czajlik, Marilena Manea, Annamária Jakab, Viktor Farkas, Zsuzsa Majer, Elemér Vass, Andrea Bodor, Bence Kapuvári, Mariann Boldizsár, Borbála Vincze, Orsolya Csuka, Magdolna Kovács, Michael Przybylski, András Perczel & Ferenc Hudecz. (2007) Structure, enzymatic stability and antitumor activity of sea lamprey GnRH-III and its dimer derivatives. Peptides 28:4, pages 806-820.
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Attila Borics, Richard F. Murphy & Sándor Lovas. (2007) Optical spectroscopic elucidation of β-turns in disulfide bridged cyclic tetrapeptides. Biopolymers 85:1, pages 1-11.
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Krisztina Herédi-Szabó, Jeremiah Lubke, Geza Toth, Richard F. Murphy & Sándor Lovas. (2005) Importance of the central region of lamprey gonadotropin-releasing hormone III in the inhibition of breast cancer cell growth. Peptides 26:3, pages 419-422.
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M Amstalden, D A Zieba, M R Garcia, R L Stanko, T H Welsh, W H Hansel & G L Williams. (2004) Evidence that lamprey GnRH-III does not release FSH selectively in cattle. Reproduction 127:1, pages 35-43.
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Michelle A Sahai, Sándor Lovas, Gregory A Chass, Botond Penke & Imre G Csizmadia. (2003) A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks. Journal of Molecular Structure: THEOCHEM 666-667, pages 169-218.
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Chung F. Wong & J.Andrew McCammon. 2003. Protein Simulations. Protein Simulations 87 121 .
Xuefei Huang, Naoko Fujioka, Gennaro Pescitelli, Frank E. Koehn, R. Thomas Williamson, Koji Nakanishi & Nina Berova. (2002) Absolute Configurational Assignments of Secondary Amines by CD-Sensitive Dimeric Zinc Porphyrin Host. Journal of the American Chemical Society 124:35, pages 10320-10335.
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