Authors: Pan X; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Lu Z; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Wang W; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Hua Z; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Xu Y; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Li W; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Cai W; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Li X; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Wang H; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Song YP; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China., Zou CL; CAS Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, Anhui, 230026, China.; Hefei National Laboratory, Hefei, 230088, China., Deng DL; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China. dldeng@tsinghua.edu.cn.; Hefei National Laboratory, Hefei, 230088, China. dldeng@tsinghua.edu.cn.; Shanghai Qi Zhi Institute, No. 701 Yunjin Road, Xuhui District, Shanghai, 200232, China. dldeng@tsinghua.edu.cn., Sun L; Center for Quantum Information, Institute for Interdisciplinary Information Sciences, Tsinghua University, Beijing, 100084, China. luyansun@tsinghua.edu.cn.; Hefei National Laboratory, Hefei, 230088, China. luyansun@tsinghua.edu.cn.

Source: Nature communications [Nat Commun] 2023 Jul 06; Vol. 14 (1), pp. 4006. Date of Electronic Publication: 2023 Jul 06.

Publication Type: Journal Article

Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: PubMed not MEDLINE; MEDLINE

Authors: Kumar GJ; Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur, Chennai 603203, India., Bogoslavsky B; Institute of Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Jerusalem 91904, Israel., Debnath S; Department of Radiology, University of Texas Southwestern Medical Center, Dallas, TX 75390, USA., Bedi A; Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur, Chennai 603203, India.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jun 28; Vol. 28 (13). Date of Electronic Publication: 2023 Jun 28.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Kim H; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea., Jang K; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea., Lim S; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea., Kang Y; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea., Kim W; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea., Seo H; Division of IT Convergence Engineering, Hansung University, Seoul 02876, Republic of Korea.

Source: Sensors (Basel, Switzerland) [Sensors (Basel)] 2023 Jun 18; Vol. 23 (12). Date of Electronic Publication: 2023 Jun 18.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101204366 Publication Model: Electronic Cited Medium: Internet ISSN: 1424-8220 (Electronic) Linking ISSN: 14248220 NLM ISO Abbreviation: Sensors (Basel) Subsets: PubMed not MEDLINE; MEDLINE

Authors: Taran G; Physikalisches Institut, Karlsruhe Institute of Technology, D-76131, Karlsruhe, Germany., Moreno-Pineda E; Depto. de Química-Física, Facultad de Ciencias Naturales, Exactas y Tecnología, Universidad de Panamá, Panamá, Panamá. eufemio.moreno@up.ac.pa.; Grupo de Investigación de Materiales, Facultad de Ciencias Naturales, Exactas y Tecnología, Universidad de Panamá, Panamá, Panamá. eufemio.moreno@up.ac.pa., Schulze M; Physikalisches Institut, Karlsruhe Institute of Technology, D-76131, Karlsruhe, Germany., Bonet E; Univ. Grenoble Alpes, CNRS, Grenoble INP, Institut Néel, Grenoble, 38000, France., Ruben M; Centre Européen de Sciences Quantiques (CESQ) within the Institut de Science et d'Ingénierie Supramoléculaires (ISIS), 8 allée Gaspard Monge, BP 70028, 67083, Strasbourg Cedex, France. mario.ruben@kit.edu.; Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Plats 1, D-76344, Eggenstein-Leopoldshafen, Germany. mario.ruben@kit.edu.; Institute for Quantum Materials and Technology (IQMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344, Eggenstein-Leopoldshafen, Germany. mario.ruben@kit.edu., Wernsdorfer W; Physikalisches Institut, Karlsruhe Institute of Technology, D-76131, Karlsruhe, Germany. wolfgang.wernsdorfer@kit.edu.; Institute for Quantum Materials and Technology (IQMT), Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344, Eggenstein-Leopoldshafen, Germany. wolfgang.wernsdorfer@kit.edu.

Source: Nature communications [Nat Commun] 2023 Jun 08; Vol. 14 (1), pp. 3361. Date of Electronic Publication: 2023 Jun 08.

Publication Type: Journal Article

Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: PubMed not MEDLINE; MEDLINE

Authors: Harwick OA; Department of Chemistry and Biochemistry, University of Mississippi, University, MS 38677, USA., Fortenberry RC; Department of Chemistry and Biochemistry, University of Mississippi, University, MS 38677, USA.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jun 05; Vol. 28 (11). Date of Electronic Publication: 2023 Jun 05.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Khatami MH; Terrence Donnelly Centre for Cellular & Biomolecular Research, University of Toronto, Toronto, Ontario, Canada., Mendes UC; CMC Microsystems, Sherbrooke, Québec, Canada., Wiebe N; Department of Computer Science, University of Toronto, Toronto, Ontario, Canada.; Pacific Northwest National Laboratory, Richland, Washington, United States of America.; Department of Physics University of Washington, Seattle, Washington, United States of America., Kim PM; Terrence Donnelly Centre for Cellular & Biomolecular Research, University of Toronto, Toronto, Ontario, Canada.; Department of Computer Science, University of Toronto, Toronto, Ontario, Canada.; Department of Molecular Genetics, University of Toronto, Toronto, Ontario, Canada.

Source: PLoS computational biology [PLoS Comput Biol] 2023 Apr 12; Vol. 19 (4), pp. e1011033. Date of Electronic Publication: 2023 Apr 12 (Print Publication: 2023).

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet ISSN: 1553-7358 (Electronic) Linking ISSN: 1553734X NLM ISO Abbreviation: PLoS Comput Biol Subsets: MEDLINE

Authors: Maity S; Department of Physics and Earth Sciences, Jacobs University Bremen, Campus Ring 1, 28759, Bremen, Germany., Kleinekathöfer U; Department of Physics and Earth Sciences, Jacobs University Bremen, Campus Ring 1, 28759, Bremen, Germany. u.kleinekathoefer@jacobs-university.de.

Source: Photosynthesis research [Photosynth Res] 2023 Apr; Vol. 156 (1), pp. 147-162. Date of Electronic Publication: 2022 Oct 07.

Publication Type: Journal Article; Review

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 100954728 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-5079 (Electronic) Linking ISSN: 01668595 NLM ISO Abbreviation: Photosynth Res Subsets: MEDLINE

Authors: Cupellini L; Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Moruzzi 13, 56124, Pisa, PI, Italy. lorenzo.cupellini@unipi.it., Liguori N; Department of Physics and Astronomy and Institute for Lasers, Life and Biophotonics, Faculty of Sciences, Vrije Universiteit Amsterdam, Amsterdam, The Netherlands. Nicoletta.Liguori@icfo.eu.; ICFO-Institut de Ciencies Fotoniques, The Barcelona Institute of Science and Technology, Castelldefels, 08860, Barcelona, Spain. Nicoletta.Liguori@icfo.eu.

Source: Photosynthesis research [Photosynth Res] 2023 Apr; Vol. 156 (1), pp. 1-2.

Publication Type: Editorial

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 100954728 Publication Model: Print Cited Medium: Internet ISSN: 1573-5079 (Electronic) Linking ISSN: 01668595 NLM ISO Abbreviation: Photosynth Res Subsets: MEDLINE

Authors: Abulimiti B; Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, China.; School of Chemistry and Chemical Engineering, Xinjiang Normal University, Urumqi 830054, China.; State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China.; University of Chinese Academy of Sciences, Beijing 100049, China., An H; Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, China.; School of Chemistry and Chemical Engineering, Xinjiang Normal University, Urumqi 830054, China., Gu Z; State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Deng X; State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Zhang B; State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Xiang M; Xinjiang Key Laboratory for Luminescence Minerals and Optical Functional Materials, School of Physics and Electronic Engineering, Xinjiang Normal University, Urumqi 830054, China., Wei J; State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China.; University of Chinese Academy of Sciences, Beijing 100049, China.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Feb 20; Vol. 28 (4). Date of Electronic Publication: 2023 Feb 20.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Jmai M; LR13ES08 Material Chemistry Laboratory, Faculty of Sciences of Bizerte, Université of Carthage, Bizerte 7021, Tunisia., Gatfaoui S; LR13ES08 Material Chemistry Laboratory, Faculty of Sciences of Bizerte, Université of Carthage, Bizerte 7021, Tunisia., Issaoui N; Laboratory of Quantum and Statistical Physics, Faculty of Sciences, University of Monastir, Monastir 5079, Tunisia., Roisnel T; CNRS (Centre National de la Recherche Scientifique), ISCR (Institut des Sciences Chimiques de Rennes)-UMR 6226, University of Rennes, 35000 Rennes, France., Kazachenko AS; Department of Organic and Analytical Chemistry, Institute of Non-Ferrous Metals and Materials, Siberian Federal University, Krasnoyarsk 660041, Russia.; Krasnoyarsk Scientific Center, Siberian BranchInstitute of Chemistry and Chemical Technology, Russian Academy of Sciences, Krasnoyarsk 660036, Russia., Al-Dossary O; Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia., Marouani H; LR13ES08 Material Chemistry Laboratory, Faculty of Sciences of Bizerte, Université of Carthage, Bizerte 7021, Tunisia., Kazachenko AS; Department of Organic and Analytical Chemistry, Institute of Non-Ferrous Metals and Materials, Siberian Federal University, Krasnoyarsk 660041, Russia.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Feb 17; Vol. 28 (4). Date of Electronic Publication: 2023 Feb 17.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Gribben J; Chemistry Department, Loras College, 1450 Alta Vista Street, Dubuque, IA 52001, USA., Wilson TR; Chemistry Department, Colorado School of Mines, 1500 Illinois Street, Golden, CO 80401, USA., Eberhart ME; Chemistry Department, Colorado School of Mines, 1500 Illinois Street, Golden, CO 80401, USA.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Feb 12; Vol. 28 (4). Date of Electronic Publication: 2023 Feb 12.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Zhang X; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China., Chen X; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China., Lin Y; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China., Meng Y; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China., Li G; Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry, South China Normal University, Guangzhou 510006, China., Xie Y; Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA., Schaefer HF 3rd; Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA.

Source: Molecules (Basel, Switzerland) [Molecules] 2023 Jan 16; Vol. 28 (2). Date of Electronic Publication: 2023 Jan 16.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: PubMed not MEDLINE; MEDLINE

Authors: Fatima A; S.O.S in Chemistry, Jiwaji University, Gwalior, India.; Department of Chemistry, CMP College, University of Allahabad, Prayagraj, India., Khanum G; S.O.S in Chemistry, Jiwaji University, Gwalior, India., Srivastava SK; S.O.S in Chemistry, Jiwaji University, Gwalior, India., Bhattacharya P; Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata, India., Ali A; Department of Chemistry, CMP College, University of Allahabad, Prayagraj, India., Arora H; Department of Chemistry, University of Allahabad, Prayagraj, India., Siddiqui N; Department of Chemistry, Dayalbagh Educational Institute, Agra, India., Javed S; Department of Chemistry, University of Allahabad, Prayagraj, India.

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Dec; Vol. 41 (20), pp. 10411-10429. Date of Electronic Publication: 2023 Feb 21.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

MeSH Terms: Molecular Dynamics Simulation* , Quantum Theory*, Molecular Docking Simulation ; Spectroscopy, Fourier Transform Infrared ; Ligands ; Molecular Structure ; Spectrum Analysis, Raman ; Spectrophotometry, Ultraviolet

Authors: Currivan J; Co-founder WholeWorld-View, 17 Withy Bed, Bushton, Wiltshire, SN4 7QD, UK. Electronic address: judecurrivan@gmail.com.

Source: Progress in biophysics and molecular biology [Prog Biophys Mol Biol] 2023 Dec; Vol. 185, pp. 33-36. Date of Electronic Publication: 2023 Oct 21.

Publication Type: Journal Article

Journal Info: Publisher: Pergamon Press Country of Publication: England NLM ID: 0401233 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-1732 (Electronic) Linking ISSN: 00796107 NLM ISO Abbreviation: Prog Biophys Mol Biol Subsets: MEDLINE

MeSH Terms: Gravitation* , Quantum Theory*, Physical Phenomena ; Time ; Thermodynamics

Authors: Paciotti R; Department of Pharmacy, Università 'G. D'Annunzio' Di Chieti-Pescara, Chieti, Italy. r.paciotti@unich.it., Marrone A; Department of Pharmacy, Università 'G. D'Annunzio' Di Chieti-Pescara, Chieti, Italy., Coletti C; Department of Pharmacy, Università 'G. D'Annunzio' Di Chieti-Pescara, Chieti, Italy., Re N; Department of Pharmacy, Università 'G. D'Annunzio' Di Chieti-Pescara, Chieti, Italy.

Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2023 Dec; Vol. 37 (12), pp. 707-719. Date of Electronic Publication: 2023 Sep 25.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE

MeSH Terms: Quantum Theory* , DNA*, Ligands ; Solvents

Authors: Varsamis GD; Department of Electrical and Computer Engineering, Democritus University of Thrace, Xanthi 67100 Greece., Karafyllidis IG; Department of Electrical and Computer Engineering, Democritus University of Thrace, Xanthi 67100 Greece; National Centre for Scientific Research Demokritos, Athens 15342 Greece. Electronic address: ykar@ee.duth.gr., Gilkes KM; EY Global Innovation Quantum Computing Lab, USA., Arranz U; EY Global Innovation Quantum Computing Lab, Spain., Martin-Cuevas R; EY Global Innovation Quantum Computing Lab, Spain., Calleja G; EY Global Innovation Quantum Computing Lab, Spain., Dimitrakis P; National Centre for Scientific Research Demokritos, Athens 15342 Greece., Kolovos P; Department of Molecular Biology and Genetics, Democritus University of Thrace, Alexandroupolis 68100, Greece., Sandaltzopoulos R; Department of Molecular Biology and Genetics, Democritus University of Thrace, Alexandroupolis 68100, Greece., Jessen HC; EY Global Innovation Quantum Computing Lab, Denmark., Wong J; EY Global Innovation Quantum Computing Lab, USA.

Source: Computational biology and chemistry [Comput Biol Chem] 2023 Dec; Vol. 107, pp. 107959. Date of Electronic Publication: 2023 Sep 14.

Publication Type: Journal Article

Journal Info: Publisher: Elsevier Country of Publication: England NLM ID: 101157394 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1476-928X (Electronic) Linking ISSN: 14769271 NLM ISO Abbreviation: Comput Biol Chem Subsets: MEDLINE

MeSH Terms: Computing Methodologies* , Quantum Theory*, Humans ; Sequence Alignment ; Algorithms ; Sequence Analysis, DNA ; DNA/genetics ; Genome, Human

Authors: Agarwal N; Department of chemistry, Institute of H. Science, Dr. Bhimrao-Ambedkar University, Agra, Uttar Pradesh, India., Fatima A; S.O.S in chemistry, Jiwaji University, Gwalior, Madhya Pradesh, India., Bhattacharya P; Department of Chemistry, Mrinalini Datta Mahavidyapith, Kolkata, India., Muthu S; Department of Physics, Aringnar Anna Government Arts College, Cheyyar, India., Arora H; Department of Chemistry, University of Allahabad, Prayagraj, Uttar Pradesh, India., Siddiqui N; Department of Chemistry, Dayalbagh Educational Institute, Agra, Uttar Pradesh, India., Javed S; Department of Chemistry, University of Allahabad, Prayagraj, Uttar Pradesh, India.

Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Dec; Vol. 41 (20), pp. 10430-10449. Date of Electronic Publication: 2022 Dec 23.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

MeSH Terms: Flucytosine* , Quantum Theory*, Molecular Docking Simulation ; Models, Molecular ; Spectroscopy, Fourier Transform Infrared ; Spectrum Analysis, Raman ; Static Electricity ; Vibration ; Spectrophotometry, Ultraviolet

Authors: Pan X; Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States., Van R; Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States.; Laboratory of Computational Biology, National, Heart, Lung and Blood Institute, National Institutes of Health, Bethesda, Maryland 20824, United States., Pu J; Department of Chemistry and Chemical Biology, Indiana University-Purdue University Indianapolis, Indianapolis, Indiana 46202, United States., Nam K; Department of Chemistry and Biochemistry, University of Texas at Arlington, Arlington, Texas 76019, United States., Mao Y; Department of Chemistry and Biochemistry, San Diego State University, San Diego, California 92182, United States., Shao Y; Department of Chemistry and Biochemistry, University of Oklahoma, Norman, Oklahoma 73019, United States.

Source: Journal of chemical theory and computation [J Chem Theory Comput] 2023 Nov 28; Vol. 19 (22), pp. 8234-8244. Date of Electronic Publication: 2023 Nov 09.

Publication Type: Journal Article

Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE

MeSH Terms: Quantum Theory*, Computer Simulation

Authors: Rizzi A; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, Jülich 52428, Germany.; Atomistic Simulations, Italian Institute of Technology, Genova 16163, Italy., Carloni P; Computational Biomedicine, Institute of Advanced Simulations IAS-5/Institute for Neuroscience and Medicine INM-9, Forschungszentrum Jülich GmbH, Jülich 52428, Germany.; Department of Physics and Universitätsklinikum, RWTH Aachen University, Aachen 52074, Germany., Parrinello M; Atomistic Simulations, Italian Institute of Technology, Genova 16163, Italy.

Source: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2023 Nov 14; Vol. 120 (46), pp. e2304308120. Date of Electronic Publication: 2023 Nov 06.

Publication Type: Journal Article

Journal Info: Publisher: National Academy of Sciences Country of Publication: United States NLM ID: 7505876 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1091-6490 (Electronic) Linking ISSN: 00278424 NLM ISO Abbreviation: Proc Natl Acad Sci U S A Subsets: MEDLINE

MeSH Terms: Quantum Theory* , Proteins*, Thermodynamics ; Ligands ; Entropy

Authors: Cao E; School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China.; Research Institute for Electronic Science, Hokkaido University, Sapporo 001-0021, Japan., Sun M; School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China.

Source: International journal of molecular sciences [Int J Mol Sci] 2023 Oct 28; Vol. 24 (21). Date of Electronic Publication: 2023 Oct 28.

Publication Type: Journal Article

Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE

MeSH Terms: Spectrum Analysis, Raman* , Quantum Theory*, Models, Molecular ; Molecular Conformation ; Static Electricity ; Spectroscopy, Fourier Transform Infrared ; Oxidative Stress ; Thermodynamics ; Spectrophotometry, Ultraviolet