Статті в журналах з теми "Weakly Bound Molecules/Complexes - Computational Study"
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Garcia Guerrero, Estefania, Jose Antonio Pérez Simon, Luis Ignacio Sánchez Abarca, Irene Diaz Moreno, Miguel Angel De la rosa, and Antonio Diaz Quintana. "Molecular Dynamics As a Computational Tool to Study the Immune Reactivity: Identification of Conformational Changes in the Major Histocompatibility Complex." Blood 124, no. 21 (December 6, 2014): 2735. http://dx.doi.org/10.1182/blood.v124.21.2735.2735.
Повний текст джерелаGrabowsky, Simon, Allan H. White, Peter C. Healy, Kim M. Lapere, Seik Weng Ng, Brian W. Skelton, Duncan A. Wild, Graham A. Bowmaker, and John V. Hanna. "Solid-State NMR, X-Ray Diffraction, and Theoretical Studies of Neutral Mononuclear Molecular Bis(triphenylphosphine)silver(I) Mono-Carboxylate and -Nitrate Systems." Australian Journal of Chemistry 73, no. 6 (2020): 556. http://dx.doi.org/10.1071/ch19616.
Повний текст джерелаKrupa, Justyna, Maria Wierzejewska, and Jan Lundell. "Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen." Molecules 27, no. 2 (January 13, 2022): 495. http://dx.doi.org/10.3390/molecules27020495.
Повний текст джерелаKeefe, C. Dale, and Zuzana Istvankova. "Computational study of proper and improper hydrogen bonding in methanol complexes." Canadian Journal of Chemistry 89, no. 1 (January 2011): 34–46. http://dx.doi.org/10.1139/v10-155.
Повний текст джерелаJimenez-Fabian, Issac, Abraham Jalbout, and Abderahim Boutalib. "Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules." Open Chemistry 5, no. 4 (December 1, 2007): 1007–18. http://dx.doi.org/10.2478/s11532-007-0046-4.
Повний текст джерелаJimenez-Fabian, Isaac, Abraham Jalbout, and Abderahim Boutalib. "Conformational study on the structures and energies of the weakly bound complexes of AlCl3 with diatomic molecules." Open Chemistry 6, no. 1 (March 1, 2008): 133. http://dx.doi.org/10.2478/s11532-007-0057-1.
Повний текст джерелаRitschel, Thomas, Lutz Zülicke, and Philip J. Kuntz. "Cationic Van-der-Waals Complexes: Theoretical Study of Ar2H+ Structure and Stability." Zeitschrift für Physikalische Chemie 218, no. 4 (April 1, 2004): 377–90. http://dx.doi.org/10.1524/zpch.218.4.377.29196.
Повний текст джерелаKraevsky, Sergey V., Nikolay A. Barinov, Olga V. Morozova, Vladimir V. Palyulin, Alena V. Kremleva, and Dmitry V. Klinov. "Features of DNA–Montmorillonite Binding Visualized by Atomic Force Microscopy." International Journal of Molecular Sciences 24, no. 12 (June 6, 2023): 9827. http://dx.doi.org/10.3390/ijms24129827.
Повний текст джерелаMartinez, Arturo I. "Computational Study of Organometallic Structures for Hydrogen Storage, Effects of Ligands." Journal of Nano Research 5 (February 2009): 113–19. http://dx.doi.org/10.4028/www.scientific.net/jnanor.5.113.
Повний текст джерелаVoute, Alexandre, Fabien Gatti, Klaus B. Møller, and Niels E. Henriksen. "Femtochemistry of bimolecular reactions from weakly bound complexes: computational study of the H + H′OD → H′OH + D or HOD + H′ exchange reactions." Physical Chemistry Chemical Physics 23, no. 48 (2021): 27207–26. http://dx.doi.org/10.1039/d1cp04391a.
Повний текст джерелаZhou, Tian, Santanu Malakar, Steven L. Webb, Karsten Krogh-Jespersen, and Alan S. Goldman. "Polar molecules catalyze CO insertion into metal-alkyl bonds through the displacement of an agostic C-H bond." Proceedings of the National Academy of Sciences 116, no. 9 (February 12, 2019): 3419–24. http://dx.doi.org/10.1073/pnas.1816339116.
Повний текст джерелаKutsevol, N., Yu Kuziv, V. Zorin, I. Kravchenko, T. Zorina, A. Marynin, and L. Bulavin. "Evaluation of a Dextran-Poly(N-Isopropylacrylamide) Copolymer as a Potential Temperature-Dependent Nanocarrier for Photosensitizers with Different Properties." Ukrainian Journal of Physics 65, no. 7 (July 15, 2020): 638. http://dx.doi.org/10.15407/ujpe65.7.638.
Повний текст джерелаVaradwaj, Pradeep R. "Does Oxygen Feature Chalcogen Bonding?" Molecules 24, no. 17 (August 30, 2019): 3166. http://dx.doi.org/10.3390/molecules24173166.
Повний текст джерелаSchindler, Kevin, Youri Cortat, Miroslava Nedyalkova, Aurelien Crochet, Marco Lattuada, Aleksandar Pavic, and Fabio Zobi. "Antimicrobial Activity of Rhenium Di- and Tricarbonyl Diimine Complexes: Insights on Membrane-Bound S. aureus Protein Binding." Pharmaceuticals 15, no. 9 (September 5, 2022): 1107. http://dx.doi.org/10.3390/ph15091107.
Повний текст джерелаAoyagi, Youko, Elisabeth E. Adderson, Craig E. Rubens, John F. Bohnsack, Jin G. Min, Misao Matsushita, Teizo Fujita, Yoshiyuki Okuwaki, and Shinji Takahashi. "L-Ficolin/Mannose-Binding Lectin-Associated Serine Protease Complexes Bind to Group B Streptococci Primarily through N-Acetylneuraminic Acid of Capsular Polysaccharide and Activate the Complement Pathway." Infection and Immunity 76, no. 1 (October 15, 2007): 179–88. http://dx.doi.org/10.1128/iai.00837-07.
Повний текст джерелаAgamennone, Mariangela, Loriano Storchi, Alessandro Marrone, and Roberto Paciotti. "Hampering the early aggregation of PrP-E200K protein by charge-based inhibitors: a computational study." Journal of Computer-Aided Molecular Design 35, no. 6 (June 2021): 751–70. http://dx.doi.org/10.1007/s10822-021-00393-7.
Повний текст джерелаAltun, Bleda, and Trindle. "Production of Carbamic Acid Dimer from Ammonia-Carbon Dioxide Ices: Matching Observed and Computed IR Spectra." Life 9, no. 2 (April 23, 2019): 34. http://dx.doi.org/10.3390/life9020034.
Повний текст джерелаLloyd, Austin, Helen Moylan, and Joseph McDouall. "Modelling the Effect of Zero-Field Splitting on the 1H, 13C and 29Si Chemical Shifts of Lanthanide and Actinide Compounds." Magnetochemistry 5, no. 1 (January 11, 2019): 3. http://dx.doi.org/10.3390/magnetochemistry5010003.
Повний текст джерелаPérez de la Lastra, José Manuel, Celia Andrés-Juan, Francisco J. Plou, and Eduardo Pérez-Lebeña. "Theoretical Three-Dimensional Zinc Complexes with Glutathione, Amino Acids and Flavonoids." Stresses 1, no. 3 (July 28, 2021): 123–41. http://dx.doi.org/10.3390/stresses1030011.
Повний текст джерелаFraschetti, Caterina, Marco Pierini, Claudio Villani, Francesco Gasparrini, Antonello Filippi, and Maurizio Speranza. "Gas-phase structure and relative stability of proton-bound homo- and heterochiral clusters of tetra-amide macrocycles with amines." Collection of Czechoslovak Chemical Communications 74, no. 2 (2009): 275–97. http://dx.doi.org/10.1135/cccc2008155.
Повний текст джерелаSang, Peng, Yong-Qin Chen, Meng-Ting Liu, Yu-Ting Wang, Ting Yue, Yi Li, Yi-Rui Yin, and Li-Quan Yang. "Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants." International Journal of Molecular Sciences 23, no. 23 (November 26, 2022): 14796. http://dx.doi.org/10.3390/ijms232314796.
Повний текст джерелаRahi, Sahand J., Peter Virnau, Leonid A. Mirny, and Mehran Kardar. "Predicting transcription factor specificity with all-atom models." Nucleic Acids Research 36, no. 19 (October 1, 2008): 6209–17. http://dx.doi.org/10.1093/nar/gkn589.
Повний текст джерелаGotch, Albert J., R. Nathan Pribble, Frederick A. Ensminger та Timothy S. Zwier. "The Spectroscopy and Photophysics of π Hydrogen-Bonded Complexes: Benzene–CHCl3". Laser Chemistry 13, № 3-4 (1 січня 1994): 187–205. http://dx.doi.org/10.1155/1994/41604.
Повний текст джерелаLee, Calvin W. Z., M. Qadri E. Mubarak, Anthony P. Green та Sam P. de Visser. "How Does Replacement of the Axial Histidine Ligand in Cytochrome c Peroxidase by Nδ-Methyl Histidine Affect Its Properties and Functions? A Computational Study". International Journal of Molecular Sciences 21, № 19 (27 вересня 2020): 7133. http://dx.doi.org/10.3390/ijms21197133.
Повний текст джерелаPiepenbrink, Kurt H., Oleg Y. Borbulevych, Ruth F. Sommese, John Clemens, Kathryn M. Armstrong, Clare Desmond, Priscilla Do, and Brian M. Baker. "Fluorine substitutions in an antigenic peptide selectively modulate T-cell receptor binding in a minimally perturbing manner." Biochemical Journal 423, no. 3 (October 12, 2009): 353–61. http://dx.doi.org/10.1042/bj20090732.
Повний текст джерелаBraasch-Turi, Margaret M., Jordan T. Koehn, and Debbie C. Crans. "Chemistry of Lipoquinones: Properties, Synthesis, and Membrane Location of Ubiquinones, Plastoquinones, and Menaquinones." International Journal of Molecular Sciences 23, no. 21 (October 25, 2022): 12856. http://dx.doi.org/10.3390/ijms232112856.
Повний текст джерелаAlkorta, Ibon, José Elguero, Josep M. Oliva-Enrich, Manuel Yáñez, Otilia Mó, and M. Merced Montero-Campillo. "The Importance of Strain (Preorganization) in Beryllium Bonds." Molecules 25, no. 24 (December 11, 2020): 5876. http://dx.doi.org/10.3390/molecules25245876.
Повний текст джерелаMézière, C., M. Viguier, H. Dumortier, R. Lo-Man, C. Leclerc, J. G. Guillet, J. P. Briand, and S. Muller. "In vivo T helper cell response to retro-inverso peptidomimetics." Journal of Immunology 159, no. 7 (October 1, 1997): 3230–37. http://dx.doi.org/10.4049/jimmunol.159.7.3230.
Повний текст джерелаLishko, Valeryi K., and Tatiana P. Ugarova. "Evidence That Fibrinogen Inhibits Leukocyte Adhesion to Fibrin Clot and Immobilized Fibrinogen by Binding to the Substrate but Not to Integrins." Blood 106, no. 11 (November 16, 2005): 2631. http://dx.doi.org/10.1182/blood.v106.11.2631.2631.
Повний текст джерелаBowmaker, Graham A., Dip Singh Gill, Brian W. Skelton, Neil Somers, and Allan H. White. "Syntheses, Structures and Vibrational Spectroscopy Studies of Copper(I) Perchlorate : Benzonitrile Adducts (1 : n) of n = 2, 3, 4, 5 Stoichiometry." Zeitschrift für Naturforschung B 59, no. 11-12 (December 1, 2004): 1307–13. http://dx.doi.org/10.1515/znb-2004-11-1249.
Повний текст джерелаRaoufi, Mojgan, Wenhua Zhou, Enriqueta Guinto, Nick Grafos, Safi Ranzurmal, Robert S. Greenfield, Jacob Rand, and Han-Mou Tsai. "A Sensitive Enzyme-Linked Assay of ADAMTS13 Antibodies for Diagnosis of TTP." Blood 106, no. 11 (November 16, 2005): 553. http://dx.doi.org/10.1182/blood.v106.11.553.553.
Повний текст джерелаChen, Yingqian, and Sergei Manzhos. "Li Storage on TCNE and TCNE-(Doped)-Graphene Complexes: a Computational Study." MRS Proceedings 1679 (2014). http://dx.doi.org/10.1557/opl.2014.849.
Повний текст джерелаRivero, Maribel, Sergio Boneta, Nerea Novo, Adrián Velázquez-Campoy, Victor Polo, and Milagros Medina. "Riboflavin kinase and pyridoxine 5′-phosphate oxidase complex formation envisages transient interactions for FMN cofactor delivery." Frontiers in Molecular Biosciences 10 (March 28, 2023). http://dx.doi.org/10.3389/fmolb.2023.1167348.
Повний текст джерелаKalmankar, Neha V., Bhuvaneshwari Rajendrakumar Gehi та Ramanathan Sowdhamini. "Effects of a plant cyclotide on conformational dynamics and destabilization of β-amyloid fibrils through molecular dynamics simulations". Frontiers in Molecular Biosciences 9 (30 вересня 2022). http://dx.doi.org/10.3389/fmolb.2022.986704.
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