Academic literature on the topic 'Conformational constraint'
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Journal articles on the topic "Conformational constraint"
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 textDissertations / Theses on the topic "Conformational constraint"
Tucker-Kellogg, Lisa 1969. "Systematic conformational search with constraint satisfaction." Thesis, Massachusetts Institute of Technology, 2002. http://hdl.handle.net/1721.1/8081.
Full textIncludes bibliographical references (p. 170-177).
Determining the conformations of biological molecules is a high scientific priority for biochemists and for the pharmaceutical industry. This thesis describes a systematic method for conformational search, an application of the method to determining the structure of the formyl-Met-Leu-Phe-OH (fMLF)peptide by solid-state NMR spectroscopy, and a separate project to determine the structure of a protein-DNA complex by X-ray crystallography. The purpose of the systematic search method is to enumerate all conformations of a molecule (at a given level of torsion angle resolution) that satisfy a set of local geometric constraints. Constraints would typically come from NMR experiments, but applications such as docking or homology modelling could also give rise to similar constraints. The molecule to be searched is partitioned into small subchains so that the set of possible conformations for the whole molecule may be constructed by merging the feasible conformations for the parts. However, instead of using a binary tree for straightforward divide-and-conquer, four innovations are introduced: (1) OMNIMERGE searches a subproblem for every possible subchain of the molecule. Searching every subchain provides the advantage that every possible merge is available; by choosing the most favorable merge for each subchain, the bottleneck subchain(s) and therefore the whole search may be completed more efficiently. (2) A cost function evaluates alternative divide-and-conquer trees, provided that a preliminary OMNIMERGE search of the molecule has been completed. Then dynamic programming determines the optimal partitioning or "merge-tree" for the molecule; this merge-tree can be used to improve the efficiency of future searches.
(cont.) (3) PROPAGATION shares information by enforcing arc consistency between the solution sets of overlapping subchains. By filtering the solution set of each subchain, infeasible conformations are discarded rapidly. (4) An A* function prioritizes each subchain based on estimated future costs. Subchains with sufficiently low priority can be skipped, which improves efficiency. A common theme of these four ideas is to make good choices about how to break the large search problem into lower-dimensional subproblems. These novel algorithms were implemented and the effectiveness of each is demonstrated on a well-constrained peptide with 40 degrees of freedom.
by Lisa Tucker-Kellogg.
Ph.D.
Lin, Ying. "Design and synthesis of conformationally constrained glucagon analogues to study the conformational features important for glucagon bioactivity." Diss., The University of Arizona, 1993. http://hdl.handle.net/10150/186227.
Full textDerrer, Sam. "Medium ring lactams as peptide conformational constraints." Thesis, University of Cambridge, 1998. https://www.repository.cam.ac.uk/handle/1810/251637.
Full textWacowich-Sgarbi, Shirley Ann. "Synthesis and conformational studies of constrained oligosaccharides." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape2/PQDD_0013/NQ60036.pdf.
Full textHarris, Lawrence Daniel. "Conformationally constrained amino acid analogues." Thesis, University of Oxford, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.526527.
Full textLi, Qing. "Conformationally Constrained Oligonucleotides for RNA Targeting." Doctoral thesis, Uppsala universitet, Kemisk biologi, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-179069.
Full textReilly, Nicholas Anthony. "The synthesis of conformationally constrained peptide mimetics." Thesis, University of Liverpool, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.533934.
Full textWhitcombe, Nicole Jane. "The synthesis of conformationally constrained amino acids." Thesis, King's College London (University of London), 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.251584.
Full textWalke, Amol Ashok. "Synthetic approaches towards conformationally constrained amino acids." Thesis, Imperial College London, 2011. http://hdl.handle.net/10044/1/6887.
Full textZhao, Jielu. "Design, Syntheses and Biological Activities of Paclitaxel Analogs." Diss., Virginia Tech, 2011. http://hdl.handle.net/10919/77272.
Full textPh. D.
Books on the topic "Conformational constraint"
Tusa, Girolamo. Synthesis and biological activity of conformationally constrained nucleosides and nucleotides. Ottawa: National Library of Canada, 1998.
Find full textNavarre, Nathalie. Design and synthesis of conformationally constrained trisaccharides for probing carbohydrate-protein interactions. Birmingham: University of Birmingham, 1999.
Find full textArttamangkul, Seksiri. Synthesis and opioid activity of conformationally constrained dynorphin A analogues. 1995.
Find full textBook chapters on the topic "Conformational constraint"
Gilon, Chaim, Irena Zeltser, Vered Rashti-Bahar, Dan Muller, Gal Bitan, David Halle, Giora Bar-Akiva, Zvi Selinger, and Gerardo Byk. "Backbone cyclization as a tool for imposing conformational constraint on peptides." In Peptide Chemistry 1992, 482–85. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1474-5_141.
Full textGao, Yang, Chang-Qing Wei, Johannes Voigt, Jane Wu, Dajun Yang, and Terrence R. Burke. "Global Conformational Constraint in the Design of a Grb2 SH2 Domain Inhibitor." In Peptides: The Wave of the Future, 859–61. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0464-0_402.
Full textLiu, Ding-Guo, Yang Gao, Johannes Voigt, Jane Wu, Dajun Yang, and Terrence R. Burke. "Local Conformational Constraint in the Design of a Grb2 SH2 Domain Inhibitor." In Peptides: The Wave of the Future, 862–63. Dordrecht: Springer Netherlands, 2001. http://dx.doi.org/10.1007/978-94-010-0464-0_403.
Full textAli, Fadia E., J. M. Samanen, R. Calvo, T. Romoff, T. Yellin, J. Vasko, D. Powers, et al. "Potent fibrinogen receptor antagonists bearing conformational constraints." In Peptides, 761–62. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2264-1_306.
Full textLin, Ying, Dev Trivedi, Mara Siegel, and Victor J. Hruby. "Conformationally constrained glucagon analogs: New evidence for the conformational features important to glucagon-receptor interactions." In Peptides, 439–40. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2264-1_165.
Full textMaougal, Esma, Jean-Marc Escudier, Christophe Len, Didier Dubreuil, and Jacques Lebreton. "Synthesis of Conformationally Constrained Nucleoside Analogues." In Chemical Synthesis of Nucleoside Analogues, 345–426. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2013. http://dx.doi.org/10.1002/9781118498088.ch9.
Full textKanmera, T., A. Mori, T. Minegishi, and Y. Nakao. "Conformationally constrained PTH-related protein antagonists." In Peptides 1994, 650–51. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-1468-4_297.
Full textFardis, Maria, Haolun Jin, Xiaowu Chen, Manuel Tsiang, James Chen, Choung Kim, and Matthew Wright. "Conformationally Constrained Tricyclic HIV Integrase Inhibitors." In HIV-1 Integrase, 239–54. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9781118015377.ch16.
Full textHruby, Victor J., Wieslaw Kazmierski, B. Montgomery Pettitt, and Fahad Al-Obeidi. "Conformational Constraints in the Design of Receptor Selective Peptides: Conformational Analysis and Molecular Dynamics." In Molecular Biology of Brain and Endocrine Peptidergic Systems, 13–27. Boston, MA: Springer US, 1988. http://dx.doi.org/10.1007/978-1-4684-8801-2_2.
Full textEde, N. J., N. Lim, I. D. Rae, I. Cosic, F. M. Ng, M. I. Aguilar, and M. T. W. Hearn. "Conformationally constrained peptide analogs with hypoglycaemic activity." In Peptides, 268–70. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2264-1_95.
Full textConference papers on the topic "Conformational constraint"
Ming Zhang, Liqun Wang, and D. Maxwell. "Subdivision Approach to Target-Constrained Conformational Searching." In 2005 IEEE Engineering in Medicine and Biology 27th Annual Conference. IEEE, 2005. http://dx.doi.org/10.1109/iembs.2005.1617003.
Full textBowen, A. D., and Yue Shi. "Probing the Effect of Conformational Constraints on Binding." In 2012 SC Companion: High Performance Computing, Networking, Storage and Analysis (SCC). IEEE, 2012. http://dx.doi.org/10.1109/sc.companion.2012.334.
Full textPohl, Radek, Lenka Poštová Slavětínská, and Dominik Rejman. "Pyrrolidine nucleotides conformationally constrained via hydrogen bonding." In XVIth Symposium on Chemistry of Nucleic Acid Components. Prague: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 2014. http://dx.doi.org/10.1135/css201414352.
Full textRies, Andrew, and Shanzhong Shawn Duan. "An Emerging O(N) Model and Algorithm for Virtual Prototyping of Dynamics of Molecular Conformation." In ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-66985.
Full textGalan, M. Carmen, Andre P. Venot, John Glushka, Anne Imberty, and GeertJan Boons. "ALPHA-(2,6)-SIALYLTRANSFERASE CATALYZED SIALYLATIONS OF CONFORMATIONALLY CONSTRAINED OLIGOSACCHARIDES." In XXIst International Carbohydrate Symposium 2002. TheScientificWorld Ltd, 2002. http://dx.doi.org/10.1100/tsw.2002.455.
Full textLaValle, Steven M., Paul W. Finn, Lydia E. Kavraki, and Jeal-Claude Latombe. "Efficient database screening for rational drug design using pharmacophore-constrained conformational search." In the third annual international conference. New York, New York, USA: ACM Press, 1999. http://dx.doi.org/10.1145/299432.299489.
Full textDuan, Shanzhong, and Andrew Ries. "An Efficient O(N) Algorithm for Computer Simulation of Rigid Body Molecular Dynamics." In ASME 2007 International Mechanical Engineering Congress and Exposition. ASMEDC, 2007. http://dx.doi.org/10.1115/imece2007-42032.
Full textFuchi, Kazuko, Philip R. Buskohl, James J. Joo, Gregory W. Reich, and Richard A. Vaia. "Topology Optimization for Design of Origami-Based Active Mechanisms." In ASME 2014 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2014. http://dx.doi.org/10.1115/detc2014-35153.
Full textEftink, Maurice R., D. Hu, and Y. W. Jia. "Fluorescence studies with conformationally constrained tryptophan analogs: implications on the mechanisms of intramolecular quenching." In OE/LASE '92, edited by Joseph R. Lakowicz. SPIE, 1992. http://dx.doi.org/10.1117/12.58198.
Full textCherba, David M., William Punch, Phil Duxbury, Simon Billinge, and Pavol Juhas. "Conformation of an ideal bucky ball molecule by genetic algorithm and geometric constraint from pair distance data." In the 2005 conference. New York, New York, USA: ACM Press, 2005. http://dx.doi.org/10.1145/1068009.1068261.
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