Relevant bibliographies by topics / Computational photobiology

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers

Academic literature on the topic 'Computational photobiology'

Author: Grafiati
Published: 14 March 2023

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Journal articles on the topic "Computational photobiology"

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Schapiro, Igor, Mikhail N. Ryazantsev, Wan Jian Ding, et al. "Computational Photobiology and Beyond." Australian Journal of Chemistry 63, no. 3 (2010): 413. http://dx.doi.org/10.1071/ch09563.

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In this paper we review the results of a group of computational studies of the spectroscopy and photochemistry of light-responsive proteins. We focus on the use of quantum mechanics/molecular mechanics protocols based on a multiconfigurational quantum chemical treatment. More specifically, we discuss the use, limitations, and application of the ab initio CASPT2//CASSCF protocol that, presently, constitutes the method of choice for the investigation of excited state organic molecules, most notably, biological chromophores and fluorophores. At the end of this Review we will also see how the comp
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Sinicropi, Adalgisa, Tadeusz Andruniow, Luca De Vico, Nicolas Ferré, and Massimo Olivucci. "Toward a computational photobiology." Pure and Applied Chemistry 77, no. 6 (2005): 977–93. http://dx.doi.org/10.1351/pac200577060977.

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In this paper, we discuss the results of our recent studies on the molecular mechanism, which stand at the basis of the photochemical processes occurring in photobiological systems. These results are obtained using modern, robust, and fairly accurate high-level quantum chemical methods.
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Melaccio, Federico, María del Carmen Marín, Alessio Valentini, et al. "Toward Automatic Rhodopsin Modeling as a Tool for High-Throughput Computational Photobiology." Journal of Chemical Theory and Computation 12, no. 12 (2016): 6020–34. http://dx.doi.org/10.1021/acs.jctc.6b00367.

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Battsetseg, Tsedenbal, Hiroaki Kobayashi, and Minoru Sakurai. "3P260 Computational study of the recovery process from the M intermediate to the dark state in photoactive yellow protei(Photobiology- vision and photoreception,Poster Presentations)." Seibutsu Butsuri 47, supplement (2007): S268. http://dx.doi.org/10.2142/biophys.47.s268_1.

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García, Hermenegildo. "Preface." Pure and Applied Chemistry 77, no. 6 (2005): iv. http://dx.doi.org/10.1351/pac20057706iv.

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Photochemistry is a mature science. A characteristic hallmark of a consolidated scientific discipline is that it increasingly broadens its scope of interests from an initial central core toward the periphery where it interacts with other areas. Most of the current scientific research is characterized by an enriching multidisciplinarity, focusing on topics that combine backgrounds from different fields. In this way, the largest advances are taking place at the interphase between areas where different fields meet.This multidisciplinarity is, I believe, also a characteristic feature of the curren
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Huu Tho, Nguyen, and Nguyen Xuan Sang. "Theoretical Study on Reaction Pathways of Methyl Radical with Ethylamine." VNU Journal of Science: Natural Sciences and Technology 34, no. 3 (2018). http://dx.doi.org/10.25073/2588-1140/vnunst.4763.

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The mechanisms for the reaction of methyl radical with ethylamine were determined by the density functional theory using the atomic structures of the reactants, transition states and products optimized at the B3LYP/6-311++G(3df,2p) level of theory. Seven transition states were identified for the production of CH3CHNH2 + CH4 (TS1), CH3CH2NH + CH4 (TS2), CH2CH2NH2 + CH4 (TS3), CH3CH2NHCH3 + H (TS4), CH3CH2 + CH3NH2 (TS5), C2H6 + CH2NH2 (TS6) and C3H8 + NH2 (TS7) with the corresponding barriers, 9.34, 9.90, 13.46, 27.70, 39.12, 45.82 and 69.34 kcal/mol. Thermodynamics analysis and potential energ
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Dissertations / Theses on the topic "Computational photobiology"

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Pérez, María del Carmen Marín. "Benchmarking and applications of a computational photobiology tool for design of novel and highly fluorescent rhodopsin proteins." Doctoral thesis, Università di Siena, 2019. http://hdl.handle.net/11365/1070289.

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In recent years, world economy and technological advancement have been transformed by Genomics, which allows us to study, design and build biologically relevant molecules. Genomics is already deeply embedded in industries as diverse as pharmaceutical, food and agricultural, environmental and bio-tech in general. Fast and cheap tools for gene sequencing, protein expression and analysis are commonly used for high-throughput genomic-related studies. However, due to experimental difficulties and long time scales (e.g., protein crystallization), protein structure determination, and thus the fundam
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Gozem, Samer. "Understanding the Relationship Between Thermal and Photochemical Isomerization in Visual Receptors." Bowling Green State University / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1371498160.

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Manathunga, Madushanka. "Impact of Electronic State Mixing on the Photoisomerization Timescale of Natural and Synthetic Molecular Systems." Bowling Green State University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=bgsu1541548724939953.

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Books on the topic "Computational photobiology"

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Horst, Köppel, ed. Conical intersections: Theory, computation and experiment. World Scientific, 2011.

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Book chapters on the topic "Computational photobiology"

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Francés-Monerris, Antonio, Natacha Gillet, Elise Dumont, and Antonio Monari. "DNA Photodamage and Repair: Computational Photobiology in Action." In Challenges and Advances in Computational Chemistry and Physics. Springer International Publishing, 2020. http://dx.doi.org/10.1007/978-3-030-57721-6_7.

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Li, Xin, Lung Wa Chung, and Keiji Morokuma. "Modeling Photobiology Using Quantum Mechanics and Quantum Mechanics/Molecular Mechanics Calculations." In Computational Methods for Large Systems. John Wiley & Sons, Inc., 2011. http://dx.doi.org/10.1002/9780470930779.ch12.

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Francés-Monerris, Antonio, Marco Marazzi, Vanessa Besancenot, Stéphanie Grandemange, Xavier Assfeld, and Antonio Monari. "Chapter 6. Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards an In Silico Photobiology." In Theoretical and Computational Chemistry Series. Royal Society of Chemistry, 2020. http://dx.doi.org/10.1039/9781788015882-00202.

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Hasegawa, Jun-Ya, and Hiroshi Nakatsuji. "Exploring Photobiology and Biospectroscopy with the Sac-Ci (Symmetry-Adapted Cluster-Configuration Interaction) Method." In Challenges and Advances In Computational Chemistry and Physics. Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-8184-2_4.

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El-Khoury, Patrick, Igor Schapiro, Mark Huntress, et al. "Computational Photochemistry and Photobiology." In CRC Handbook of Organic Photochemistry and Photobiology, Third Edition - Two Volume Set. CRC Press, 2012. http://dx.doi.org/10.1201/b12252-42.

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Sinicropi, Adalgisa, and Massimo Olivucci. "Toward accurate computations in photobiology." In Theory and Applications of Computational Chemistry. Elsevier, 2005. http://dx.doi.org/10.1016/b978-044451719-7/50055-x.

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Olsen, Seth, Alessandro Toniolo, Chaehyuk Ko, Leslie Manohar, Kristina Lamothe, and Todd J. Martinez. "Computation of Reaction Mechanisms and Dynamics in Photobiology." In Theoretical and Computational Chemistry. Elsevier, 2005. http://dx.doi.org/10.1016/s1380-7323(05)80024-x.

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Hasegawa, Jun-ya. "Photobiology and biospectroscopy studied by SAC-CI method." In Recent Progress in Computational Sciences and Engineering (2 vols). CRC Press, 2006. http://dx.doi.org/10.1201/b12066-141.

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Pradhan, Renuka, and Upakarasamy Lourderaj. "Computational Studies on the Excited-State Intramolecular Proton Transfer in Five-Membered-Ring Hydrogen-Bonded Systems." In Hydrogen-Bonding Research in Photochemistry, Photobiology, and Optoelectronic Materials. WORLD SCIENTIFIC (EUROPE), 2019. http://dx.doi.org/10.1142/9781786346087_0007.

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Conference papers on the topic "Computational photobiology"

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Serrano-Andrés, Luis, Manuela Merchán, Daniel Roca-Sanjuán, et al. "Bioexcimers as Precursors of Charge Transfer and Reactivity in Photobiology." In Computational Methods in Science and Engineering. AIP, 2007. http://dx.doi.org/10.1063/1.2827037.

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