Journal articles on the topic 'Conformational constraint'
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Campeotto, F., A. Dal Palù, A. Dovier, F. Fioretto, and E. Pontelli. "A Constraint Solver for Flexible Protein Model." Journal of Artificial Intelligence Research 48 (December 30, 2013): 953–1000. http://dx.doi.org/10.1613/jair.4193.
Full textÖTVÖS, FERENC L., DMITRY S. GEMBITSKY, RICHARD F. MURPHY, and SÁNDOR LOVAS. "38 NKA, analogs with conformational constraint." Biochemical Society Transactions 26, no. 1 (February 1, 1998): S30. http://dx.doi.org/10.1042/bst026s030.
Full textArttamangkul, Seksiri, Thomas F. Murray, Gary E. DeLander, and Jane V. Aldrich. "Synthesis and Opioid Activity of Conformationally Constrained Dynorphin A Analogs. 1. Conformational Constraint in the "Message" Sequence." Journal of Medicinal Chemistry 38, no. 13 (June 1995): 2410–17. http://dx.doi.org/10.1021/jm00013a016.
Full textAnthony, Peter C., Adelene Y. L. Sim, Vincent B. Chu, Sebastian Doniach, Steven M. Block, and Daniel Herschlag. "Electrostatics of Nucleic Acid Folding under Conformational Constraint." Journal of the American Chemical Society 134, no. 10 (February 27, 2012): 4607–14. http://dx.doi.org/10.1021/ja208466h.
Full textCapozzi, Maria Annunziata M., Claudia Pigliacelli, Giancarlo Terraneo, and Cosimo Cardellicchio. "Stacked aryl groups in P-resolved cyclic phosphonamides as a new conformational constraint." CrystEngComm 21, no. 47 (2019): 7224–32. http://dx.doi.org/10.1039/c9ce01382b.
Full textWang, L. Y., Q. L. Deng, L. H. Lai, Y. Z. Han, and X. J. Xu. "Constraint peptide conformational analysis by Monte Carlo simulated annealing." Acta Crystallographica Section A Foundations of Crystallography 49, s1 (August 21, 1993): c152. http://dx.doi.org/10.1107/s0108767378095641.
Full textLiu, Hao-Miao, Dong Chen, Wen-Dan Xu, Li-Zhi Dang, and Hong-Bo Qin. "Total synthesis of (−)-akaol A via a conformational constraint strategy." Organic Chemistry Frontiers 5, no. 12 (2018): 1886–89. http://dx.doi.org/10.1039/c8qo00375k.
Full textBlount, Kenneth F., Fang Zhao, Thomas Hermann, and Yitzhak Tor. "Conformational Constraint as a Means for Understanding RNA-Aminoglycoside Specificity." Journal of the American Chemical Society 127, no. 27 (July 2005): 9818–29. http://dx.doi.org/10.1021/ja050918w.
Full textFnu, Gulimirerouzi, Palak Agrawal, Gopal C. Kundu, and Georg F. Weber. "Structural Constraint of Osteopontin Facilitates Efficient Binding to CD44." Biomolecules 11, no. 6 (May 30, 2021): 813. http://dx.doi.org/10.3390/biom11060813.
Full textSmith, Jason G., Walther Mothes, Stephen C. Blacklow, and James M. Cunningham. "The Mature Avian Leukosis Virus Subgroup A Envelope Glycoprotein Is Metastable, and Refolding Induced by the Synergistic Effects of Receptor Binding and Low pH Is Coupled to Infection." Journal of Virology 78, no. 3 (February 1, 2004): 1403–10. http://dx.doi.org/10.1128/jvi.78.3.1403-1410.2004.
Full textLu-Hua, Lai, Wang Le-Yu, Deng Qiao-Lin, Han Yu-Zhen, Ma Li-Bin, Xu Xiao-Jie, and Tang You-Qi. "Constraint Monte-Carlo Simulated Annealing:Application in Peptide Conformational Analysis in Solution." Acta Physico-Chimica Sinica 10, no. 10 (1994): 867–69. http://dx.doi.org/10.3866/pku.whxb19941001.
Full textMishra, Pramod Kumar. "Effect of geometrical constraint on conformational properties of a polymer chain." Phase Transitions 84, no. 3 (March 2011): 291–98. http://dx.doi.org/10.1080/01411594.2010.534657.
Full textGilon, Chaim, David Halle, Michael Chorev, Zvi Selincer, and Gerardo Byk. "Backbone cyclization: A new method for conferring conformational constraint on peptides." Biopolymers 31, no. 6 (May 1991): 745–50. http://dx.doi.org/10.1002/bip.360310619.
Full textWang, Hongshuang, Robert S. Dawber, Peiyu Zhang, Martin Walko, Andrew J. Wilson, and Xiaohui Wang. "Peptide-based inhibitors of protein–protein interactions: biophysical, structural and cellular consequences of introducing a constraint." Chemical Science 12, no. 17 (2021): 5977–93. http://dx.doi.org/10.1039/d1sc00165e.
Full textHumphries, M. J. "Monoclonal antibodies as probes of integrin priming and activation." Biochemical Society Transactions 32, no. 3 (June 1, 2004): 407–11. http://dx.doi.org/10.1042/bst0320407.
Full textUdugamasooriya, D. Gomika, and Mark R. Spaller. "Conformational constraint in protein ligand design and the inconsistency of binding entropy." Biopolymers 89, no. 8 (August 2008): 653–67. http://dx.doi.org/10.1002/bip.20983.
Full textLee, Ji Hyang, Hae Sook Park, and Young Kee Kang. "Conformational preferences of β-sheet structures in cyclopropane-containing γ-peptides." New Journal of Chemistry 39, no. 6 (2015): 4640–46. http://dx.doi.org/10.1039/c5nj00545k.
Full textHills, Ivory D., M. Katharine Holloway, Pablo de León, Ashley Nomland, Hong Zhu, Hemaka Rajapakse, Tim J. Allison, et al. "A conformational constraint improves a β-secretase inhibitor but for an unexpected reason." Bioorganic & Medicinal Chemistry Letters 19, no. 17 (September 2009): 4993–95. http://dx.doi.org/10.1016/j.bmcl.2009.07.071.
Full textFarrell, Daniel W., Tatyana Mamonova, Maria Kurnikova, and Michael F. Thorpe. "Generating Pathways for Free Energy Calculations in Proteins Using Constraint-Based Conformational Sampling." Biophysical Journal 96, no. 3 (February 2009): 407a. http://dx.doi.org/10.1016/j.bpj.2008.12.2072.
Full textTuthill, Paul A., Pamela R. Seida, William Barker, Joel A. Cassel, Serge Belanger, Robert N. DeHaven, Michael Koblish, et al. "Azepinone as a conformational constraint in the design of κ-opioid receptor agonists." Bioorganic & Medicinal Chemistry Letters 14, no. 22 (November 2004): 5693–97. http://dx.doi.org/10.1016/j.bmcl.2004.08.041.
Full textKukol, Andreas. "Site‒specific IR spectroscopy and molecular modelling combined towards solving transmembrane protein structure." Spectroscopy 19, no. 1 (2005): 1–16. http://dx.doi.org/10.1155/2005/297098.
Full textKODAMA, Hiroaki, and Yasuyuki SHIMOHIGASHI. "Synthesis of Cyclopropane Amino Acids and Their Incorporation into Bioactive Peptides as Conformational Constraint." Journal of Synthetic Organic Chemistry, Japan 52, no. 3 (1994): 180–91. http://dx.doi.org/10.5059/yukigoseikyokaishi.52.180.
Full textDavies, John S., Malgosia Stelmach-Diddams, Regis Fromentin, Alun Howells, and Ron Cotton. "The synthesis and conformational aspects of a novel dioxopiperazine—a possible β-turn constraint." Journal of the Chemical Society, Perkin Transactions 1, no. 2 (2000): 239–43. http://dx.doi.org/10.1039/a904943f.
Full textJung, Sejin, Asuka Inoue, Sho Nakamura, Takayuki Kishi, Akiharu Uwamizu, Misa Sayama, Masaya Ikubo, et al. "Conformational Constraint of the Glycerol Moiety of Lysophosphatidylserine Affords Compounds with Receptor Subtype Selectivity." Journal of Medicinal Chemistry 59, no. 8 (April 14, 2016): 3750–76. http://dx.doi.org/10.1021/acs.jmedchem.5b01925.
Full textKemp, D. S., and Jeffrey H. Rothman. "Synthesis and analysis of a macrocyclic triproline-derived template containing a local conformational constraint." Tetrahedron Letters 36, no. 23 (June 1995): 4019–22. http://dx.doi.org/10.1016/0040-4039(95)00706-i.
Full textZhu, Peng-Wei, and Luguang Chen. "Conformational collapse of spherical poly(N-isopropylacrylamide) brushes under the constraint of bound micelles." Physical Chemistry Chemical Physics 19, no. 46 (2017): 31362–76. http://dx.doi.org/10.1039/c7cp06406c.
Full textZHANG, MING, LIQUN WANG, and RONALD GOLDMAN. "BÉZIER SUBDIVISION FOR INVERSE MOLECULAR KINEMATICS." International Journal of Computational Geometry & Applications 16, no. 05n06 (December 2006): 513–32. http://dx.doi.org/10.1142/s0218195906002166.
Full textBorics, Attila, Katarzyna Gach, Jakub Fichna, Dariusz Sobolewski, Géza Toth, and Anna Janecka. "Structural comparison of endomorphin-2 and its conformationally restricted analog." Open Chemistry 10, no. 1 (February 1, 2012): 172–79. http://dx.doi.org/10.2478/s11532-011-0119-2.
Full textMandal, Mihirbaran, Zhaoning Zhu, Jared N. Cumming, Xiaoxiang Liu, Corey Strickland, Robert D. Mazzola, John P. Caldwell, et al. "Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation." Journal of Medicinal Chemistry 55, no. 21 (October 2012): 9331–45. http://dx.doi.org/10.1021/jm301039c.
Full textFairlie, David P., Giovanni Abbenante, and Darren R. March. "Macrocyclic Peptidomimetics Forcing Peptides into Bioactive Conformations." Current Medicinal Chemistry 2, no. 2 (August 1995): 654–86. http://dx.doi.org/10.2174/0929867302666220218001506.
Full textJackler, G., A. Wittemann, M. Ballauff, and C. Czeslik. "Spherical polyelectrolyte brushes as carrier particles for proteins: An investigation of the structure of adsorbed and desorbed bovine serum albumin." Spectroscopy 18, no. 2 (2004): 289–99. http://dx.doi.org/10.1155/2004/526159.
Full textCorr, Michael J., Rodrigo A. Cormanich, Cortney N. von Hahmann, Michael Bühl, David B. Cordes, Alexandra M. Z. Slawin, and David O'Hagan. "Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones." Organic & Biomolecular Chemistry 14, no. 1 (2016): 211–19. http://dx.doi.org/10.1039/c5ob02023a.
Full textLiu, Yinghui, Chun Wan, Shailendra S. Rathore, Michael H. B. Stowell, Haijia Yu, and Jingshi Shen. "SNARE Zippering Is Suppressed by a Conformational Constraint that Is Removed by v-SNARE Splitting." Cell Reports 34, no. 2 (January 2021): 108611. http://dx.doi.org/10.1016/j.celrep.2020.108611.
Full textYanagihara, Ryoji, Masaki Katoh, Masayuki Hanyuu, Toshifumi Miyazawa, and Takashi Yamada. "Recognition of quaternary ammonium salts with tetrapeptides containing α-aminoisobutyric acid as a conformational constraint." Journal of the Chemical Society, Perkin Transactions 2, no. 3 (2000): 551–56. http://dx.doi.org/10.1039/a906439g.
Full textMeyer, Falco-Magnus, James C. Collins, Brendan Borin, James Bradow, Spiros Liras, Chris Limberakis, Alan M. Mathiowetz, et al. "Biaryl-Bridged Macrocyclic Peptides: Conformational Constraint via Carbogenic Fusion of Natural Amino Acid Side Chains." Journal of Organic Chemistry 77, no. 7 (March 13, 2012): 3099–114. http://dx.doi.org/10.1021/jo202105v.
Full textRenslo, Adam R., Priyadarshini Jaishankar, Revathy Venkatachalam, Corinne Hackbarth, Sara Lopez, Dinesh V. Patel, and Mikhail F. Gordeev. "Conformational Constraint in Oxazolidinone Antibacterials. Synthesis and Structure−Activity Studies of (Azabicyclo[3.1.0]hexylphenyl)oxazolidinones." Journal of Medicinal Chemistry 48, no. 15 (July 2005): 5009–24. http://dx.doi.org/10.1021/jm058204j.
Full textSchütznerová, Eva, Allen G. Oliver, Greg A. Slough, and Viktor Krchňák. "Traceless Solid-Phase Synthesis of Fused Chiral Macrocycles via Conformational Constraint-Assisted Cyclic Iminium Formation." Chemistry - A European Journal 23, no. 52 (August 16, 2017): 12876–85. http://dx.doi.org/10.1002/chem.201702461.
Full textMegalathan, Anoja, Bobby D. Cox, Peter D. Wilkerson, Anisa Kaur, Kumar Sapkota, Joseph E. Reiner, and Soma Dhakal. "Single-molecule analysis of i-motif within self-assembled DNA duplexes and nanocircles." Nucleic Acids Research 47, no. 14 (July 9, 2019): 7199–212. http://dx.doi.org/10.1093/nar/gkz565.
Full textLong, Ya-Qiu, Feng-Di T. Lung, and Peter P. Roller. "Global optimization of conformational constraint on non-phosphorylated cyclic peptide antagonists of the Grb2-SH2 domain." Bioorganic & Medicinal Chemistry 11, no. 18 (September 2003): 3929–36. http://dx.doi.org/10.1016/s0968-0896(03)00411-5.
Full textKODAMA, H., and Y. SHIMOHIGASHI. "ChemInform Abstract: Synthesis of Cyclopropane Amino Acids and Their Incorporation into Bioactive Peptides as Conformational Constraint." ChemInform 25, no. 30 (August 19, 2010): no. http://dx.doi.org/10.1002/chin.199430290.
Full textDinsmore, Christopher J., and Ian M. Bell. "Inhibitors of Farnesyltransferase and Geranylgeranyltransferase-I for Antitumor Therapy: Substrate-Based Design, Conformational Constraint and Biological Activity." Frontiers in Medicinal Chemistry - Online 2, no. 1 (January 1, 2005): 331–55. http://dx.doi.org/10.2174/1567204052931023.
Full textDinsmore, Christopher, and Ian Bell. "Inhibitors of Farnesyltransferase and Geranylgeranyltransferase-I for Antitumor Therapy: Substrate-Based Design, Conformational Constraint and Biological Activity." Current Topics in Medicinal Chemistry 3, no. 10 (May 1, 2003): 1075–93. http://dx.doi.org/10.2174/1568026033452113.
Full textEly, Fernando, Rodrigo Cristiano, Ricardo L. Longo, Rafael Vergara‐Toloza, Eduardo Soto‐Bustamante, and Hugo Gallardo. "Conformational constraint in ferroelectric liquid crystals incorporating a pyrrolidine‐type ring: FLC materials comprising parallel dipolar moments." Liquid Crystals 34, no. 4 (April 2007): 431–40. http://dx.doi.org/10.1080/02678290601171642.
Full textAskarian, Mohammad, Reza Hasanzadeh Ghasemi, and Majid Moavenian. "Investigating conformational changes of Prefoldin β1 as result of applying external mechanical force without any position constraint." IET Nanobiotechnology 14, no. 6 (July 15, 2020): 491–500. http://dx.doi.org/10.1049/iet-nbt.2019.0265.
Full textHo, Jason, Kelly S. MacDonald, and Brian H. Barber. "Construction of recombinant targeting immunogens incorporating an HIV-1 neutralizing epitope into sites of differing conformational constraint." Vaccine 20, no. 7-8 (January 2002): 1169–80. http://dx.doi.org/10.1016/s0264-410x(01)00441-8.
Full textDavies, John S., Malgosia Stelmach-Diddams, Regis Fromentin, Alun Howells, and Ron Cotton. "ChemInform Abstract: The Synthesis and Conformational Aspects of a Novel Dioxopiperazine (VIII) - A Possible β-Turn Constraint." ChemInform 31, no. 19 (June 8, 2010): no. http://dx.doi.org/10.1002/chin.200019133.
Full textKEMP, D. S., and J. H. ROTHMAN. "ChemInform Abstract: Synthesis and Analysis of a Macrocyclic Triproline-Derived Template (I) Containing a Local Conformational Constraint." ChemInform 26, no. 43 (August 17, 2010): no. http://dx.doi.org/10.1002/chin.199543231.
Full textHealy, Judith M., Mitsuru Haruki, and Masakazu Kikuchi. "Preferred Motif for Integrin Binding Identified Using a Library of Randomized RGD Peptides Displayed on Phage." Protein & Peptide Letters 3, no. 1 (February 1996): 23–30. http://dx.doi.org/10.2174/092986650301220608153153.
Full textGómez-Monterrey, Isabel, Rosario González-Muñiz, Rosario Herranz, and M. a. Teresa Garcia-Gomez. "Stereospecific synthesis of (2R,3S)-3-amino-2-piperidineacetic acid derivatives for use as conformational constraint in peptides." Tetrahedron Letters 34, no. 22 (May 1993): 3593–94. http://dx.doi.org/10.1016/s0040-4039(00)73644-6.
Full textWeerapreeyakul, Natthida, R. Gary Hollenbeck, and Prashant J. Chikhale. "Stability of bioreductive drug delivery systems containing melphalan is influenced by conformational constraint and electronic properties of substituents." Bioorganic & Medicinal Chemistry Letters 10, no. 21 (November 2000): 2391–95. http://dx.doi.org/10.1016/s0960-894x(00)00496-0.
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