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Wyszukujesz frazę ""Molecular Conformation"" wg kryterium: Temat


Tytuł:
Non-canonical helical transitions and conformational switching are associated with characteristic flexibility and disorder indices in TRP and Kv channels.
Autorzy:
García-Morales A
Balleza D; Unidad de Investigación y desarrollo en Alimentos, Instituto Tecnológico de Veracruz. Tecnológico Nacional de México, Veracruz, MEXICO.
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Źródło:
Channels (Austin, Tex.) [Channels (Austin)] 2023 Dec; Vol. 17 (1), pp. 2212349.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Conformation*
Protein Domains
Czasopismo naukowe
Tytuł:
Dynamic Metallosupramolecular Cages Containing 12 Adaptable Pockets for High-Order Guest Binding Beyond Biomimicry.
Autorzy:
Huang YH; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Lu YL; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Ruan J; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Zheng SP; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Zhang XD; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Liu CH; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Qin YH; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Cao ZM; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Jiao Z; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Xu HS; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.
Su CY; MOE Laboratory of Bioinorganic and Synthetic Chemistry, LIFM, IGCME, School of Chemistry, Sun Yat-Sen University, Guangzhou 510275, China.; State Key Laboratory of Organometallic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China.
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Źródło:
Journal of the American Chemical Society [J Am Chem Soc] 2023 Oct 25; Vol. 145 (42), pp. 23361-23371. Date of Electronic Publication: 2023 Oct 16.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Conformation*
Biomimetics*
Czasopismo naukowe
Tytuł:
Accelerating Cryptic Pocket Discovery Using AlphaFold.
Autorzy:
Meller A; Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.; Medical Scientist Training Program, Washington University in St. Louis, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.
Bhakat S; Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.; Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Solieva S; Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
Bowman GR; Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, 660 S. Euclid Ave., St. Louis, Missouri 63110, United States.; Department of Biochemistry and Biophysics, University of Pennsylvania, Philadelphia, Pennsylvania 19104, United States.
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Źródło:
Journal of chemical theory and computation [J Chem Theory Comput] 2023 Jul 25; Vol. 19 (14), pp. 4355-4363. Date of Electronic Publication: 2023 Mar 22.
Typ publikacji:
Journal Article
MeSH Terms:
Ligands*
Molecular Conformation*
Czasopismo naukowe
Tytuł:
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
Autorzy:
Lam CC; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
Goodman JM; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
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Źródło:
Journal of chemical information and modeling [J Chem Inf Model] 2023 Jul 24; Vol. 63 (14), pp. 4364-4375. Date of Electronic Publication: 2023 Jul 10.
Typ publikacji:
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Conformation*
Thermodynamics
Czasopismo naukowe
Tytuł:
A five-stranded heterometallic helicate.
Autorzy:
Sudan S; Institut of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland. .
Fadaei-Tirani F; Institut of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland. .
Severin K; Institut of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne 1015, Switzerland. .
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Źródło:
Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2023 Jun 29; Vol. 59 (53), pp. 8258-8261. Date of Electronic Publication: 2023 Jun 29.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Conformation*
Ligands
Czasopismo naukowe
Tytuł:
Deep generative models for 3D molecular structure.
Autorzy:
Baillif B; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Rd, CB2 1EW, Cambridge, United Kingdom. Electronic address: https:.
Cole J; Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, United Kingdom. Electronic address: https:.
McCabe P; Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, United Kingdom. Electronic address: https:_p_.
Bender A; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Rd, CB2 1EW, Cambridge, United Kingdom. Electronic address: .
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Źródło:
Current opinion in structural biology [Curr Opin Struct Biol] 2023 Jun; Vol. 80, pp. 102566. Date of Electronic Publication: 2023 Mar 29.
Typ publikacji:
Journal Article; Review; Research Support, Non-U.S. Gov't
MeSH Terms:
Molecular Conformation*
Models, Molecular
Czasopismo naukowe
Tytuł:
Screw sense and screw sensibility: communicating information by conformational switching in helical oligomers.
Autorzy:
Morris DTJ; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK. .
Clayden J; School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, UK. .
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Źródło:
Chemical Society reviews [Chem Soc Rev] 2023 Apr 03; Vol. 52 (7), pp. 2480-2496. Date of Electronic Publication: 2023 Apr 03.
Typ publikacji:
Journal Article; Review
MeSH Terms:
Molecular Conformation*
Czasopismo naukowe
Tytuł:
Does Inter-Residue Hydrogen Bonding in β-(1→4)-Linked Disaccharides Influence Linkage Conformation in Aqueous Solution?
Autorzy:
Zhang W; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Meredith RJ; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Wang X; Hubei Key Laboratory of Agricultural Bioinformatics, College of Informatics, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
Woods RJ; Complex Carbohydrate Research Center, University of Georgia, Athens, Georgia 30602, United States.
Carmichael I; Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Serianni AS; Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
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Źródło:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 14; Vol. 128 (10), pp. 2317-2325. Date of Electronic Publication: 2024 Feb 28.
Typ publikacji:
Journal Article
MeSH Terms:
Disaccharides*/chemistry
Glycosides*/chemistry
Hydrogen Bonding ; Molecular Conformation ; Computer Simulation ; Water ; Carbohydrate Conformation
Czasopismo naukowe
Tytuł:
Role of Protonation States in the Stability of Molecular Dynamics Simulations of High-Resolution Membrane Protein Structures.
Autorzy:
Lasham J; Department of Physics, University of Helsinki, 00014 Helsinki, Finland.
Djurabekova A; Department of Physics, University of Helsinki, 00014 Helsinki, Finland.
Zickermann V; Institute of Biochemistry II, University Hospital, Goethe University, 60590 Frankfurt am Main, Germany.; Centre for Biomolecular Magnetic Resonance, Institute for Biophysical Chemistry, Goethe University, 60438 Frankfurt am Main, Germany.
Vonck J; Department of Structural Biology, Max Planck Institute of Biophysics, 60438 Frankfurt am Main, Germany.
Sharma V; Department of Physics, University of Helsinki, 00014 Helsinki, Finland.; HiLIFE Institute of Biotechnology, University of Helsinki, 00014 Helsinki, Finland.
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Źródło:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 14; Vol. 128 (10), pp. 2304-2316. Date of Electronic Publication: 2024 Mar 02.
Typ publikacji:
Journal Article
MeSH Terms:
Molecular Dynamics Simulation*
Membrane Proteins*
Protons ; Amino Acids/chemistry ; Molecular Conformation ; Protein Conformation
Czasopismo naukowe
Tytuł:
Systematic Comparison of Atomistic Force Fields for the Mechanical Properties of Double-Stranded DNA.
Autorzy:
Roldán-Piñero C; Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
Luengo-Márquez J; Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.; Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
Assenza S; Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.; Instituto Nicolás Cabrera, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.; Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
Pérez R; Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain.; Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, E-28049 Madrid, Spain.
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Źródło:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Mar 12; Vol. 20 (5), pp. 2261-2272. Date of Electronic Publication: 2024 Feb 27.
Typ publikacji:
Journal Article
MeSH Terms:
DNA*/chemistry
Molecular Dynamics Simulation*
Molecular Conformation ; Elasticity ; Stress, Mechanical ; Nucleic Acid Conformation
Czasopismo naukowe
Tytuł:
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics.
Autorzy:
Fischer AM; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Tichy A; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Kokot J; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Hoerschinger VJ; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Wild RF; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Riccabona JR; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Loeffler JR; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Waibl F; Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
Quoika PK; Center for Protein Assemblies (CPA), Physics Department, Chair of Theoretical Biophysics, Technical University of Munich, D-80333 Munich, Germany.
Gschwandtner P; Research Center HPC, University of Innsbruck, A-6020 Innsbruck, Austria.
Forli S; Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, California 92037, United States.
Ward AB; Department of Integrative Structural and Computational Biology, Scripps Research Institute, La Jolla, California 92037, United States.
Liedl KR; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
Zacharias M; Center for Protein Assemblies (CPA), Physics Department, Chair of Theoretical Biophysics, Technical University of Munich, D-80333 Munich, Germany.
Fernández-Quintero ML; Institute for General, Inorganic and Theoretical Chemistry, Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, A-6020 Innsbruck, Austria.
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Źródło:
Journal of chemical theory and computation [J Chem Theory Comput] 2024 Mar 12; Vol. 20 (5), pp. 2321-2333. Date of Electronic Publication: 2024 Feb 19.
Typ publikacji:
Journal Article
MeSH Terms:
Water*
Protein Folding*
Proteins ; Molecular Dynamics Simulation ; Molecular Conformation ; Thermodynamics ; Protein Conformation ; Protein Unfolding
Czasopismo naukowe
Tytuł:
Stapling of leu-enkephalin analogs with bifunctional reagents for prolonged analgesic activity.
Autorzy:
Kijewska M; Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland. .
Wołczański G; Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland. .
Kosson P; Mossakowski Medical Research Institute, Polish Academy of Sciences, 5 Pawinskiego Street, 02-106 Warszawa, Poland.
Wieczorek R; Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland. .
Lisowski M; Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland. .
Stefanowicz P; Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland. .
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Źródło:
Chemical communications (Cambridge, England) [Chem Commun (Camb)] 2024 Mar 12; Vol. 60 (22), pp. 3023-3026. Date of Electronic Publication: 2024 Mar 12.
Typ publikacji:
Journal Article
MeSH Terms:
Enkephalin, Leucine*/pharmacology
Glycine*
Cross-Linking Reagents ; Molecular Conformation ; Analgesics/pharmacology ; Analgesics/chemistry
Czasopismo naukowe
Tytuł:
Pliability in the m A-Binding Region Extends Druggability of YTH Domains.
Autorzy:
Cazzanelli G; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Dalle Vedove A; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Spagnolli G; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Terruzzi L; Sibylla Biotech S.p.A, Via Lillo del Duca 10, 20091 Bresso, Milan, Italy.
Colasurdo E; Sibylla Biotech S.p.A, Via Lillo del Duca 10, 20091 Bresso, Milan, Italy.
Boldrini A; Sibylla Biotech S.p.A, Via Lillo del Duca 10, 20091 Bresso, Milan, Italy.
Patsilinakos A; Sibylla Biotech S.p.A, Via Lillo del Duca 10, 20091 Bresso, Milan, Italy.
Sturlese M; Department of Pharmaceutical and Pharmacological Sciences, University of Padova, Via Marzolo 5, 35131 Padova, Italy.
Grottesi A; CINECA, Via dei Tizii, 6, 00185 Roma, Italy.
Biasini E; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Provenzani A; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Quattrone A; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
Lolli G; Department of Cellular, Computational and Integrative Biology─CIBIO, University of Trento, via Sommarive 9, 38123 Povo, Trento, Italy.
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Źródło:
Journal of chemical information and modeling [J Chem Inf Model] 2024 Mar 11; Vol. 64 (5), pp. 1682-1690. Date of Electronic Publication: 2024 Feb 28.
Typ publikacji:
Journal Article
MeSH Terms:
RNA-Binding Proteins*/chemistry
RNA-Binding Proteins*/genetics
RNA-Binding Proteins*/metabolism
Pliability ; RNA, Messenger/chemistry ; RNA, Messenger/metabolism ; Molecular Conformation
Czasopismo naukowe
Tytuł:
Probing Activation and Conformational Dynamics of the Vesicle-Reconstituted β 2 Adrenergic Receptor at the Single-Molecule Level.
Autorzy:
Tutkus M; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.; Institute of Biotechnology, Life Sciences Center, Vilnius University, Saulėtekio Ave. 7, LT-10257 Vilnius, Lithuania.; Department of Molecular Compound Physics, Center for Physical Sciences and Technology, Saulėtekio Ave. 3, LT-10257 Vilnius, Lithuania.
Lundgaard CV; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
Veshaguri S; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
Tønnesen A; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
Hatzakis N; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.; Department of Chemistry and Nanoscience Center, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
Rasmussen SGF; Department of Neuroscience and Pharmacology, Panum, University of Copenhagen, Blegdamsvej 3, DK-2200 Copenhagen, Denmark.
Stamou D; Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen, Denmark.; Center for Geometrically Engineered Cellular Systems, Universitetsparken 5, DK-2100 Copenhagen, Denmark.
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Źródło:
The journal of physical chemistry. B [J Phys Chem B] 2024 Mar 07; Vol. 128 (9), pp. 2124-2133. Date of Electronic Publication: 2024 Feb 23.
Typ publikacji:
Journal Article
MeSH Terms:
Receptors, G-Protein-Coupled*/chemistry
Lipids*
Boron Compounds*
Molecular Conformation ; Receptors, Adrenergic ; Receptors, Adrenergic, beta-2/chemistry ; Ligands
Czasopismo naukowe
Tytuł:
Dissecting the Conformational Stability of a Glycan Hairpin.
Autorzy:
Yadav N; Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam 14476, Germany.; Department of Chemistry and Biochemistry, Freie Universität Berlin, Arnimallee 22, Berlin 14195, Germany.
Djalali S; Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam 14476, Germany.; Department of Chemistry and Biochemistry, Freie Universität Berlin, Arnimallee 22, Berlin 14195, Germany.
Poveda A; CIC bioGUNE, Basque Research and Technology Alliance, Derio 48160, Spain.
Ricardo MG; Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam 14476, Germany.
Seeberger PH; Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam 14476, Germany.; Department of Chemistry and Biochemistry, Freie Universität Berlin, Arnimallee 22, Berlin 14195, Germany.
Jiménez-Barbero J; CIC bioGUNE, Basque Research and Technology Alliance, Derio 48160, Spain.; Ikerbasque, Basque Foundation for Science, Bilbao 48009, Spain.; Department of Inorganic & Organic Chemistry, Faculty of Science and Technology, University of the Basque Country, EHU-UPV, Leioa 48940, Spain.; Centro de Investigación Biomedica en Red de Enfermedades Respiratorias, Madrid 28029, Spain.
Delbianco M; Department of Biomolecular Systems, Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, Potsdam 14476, Germany.
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Źródło:
Journal of the American Chemical Society [J Am Chem Soc] 2024 Mar 06; Vol. 146 (9), pp. 6369-6376. Date of Electronic Publication: 2024 Feb 20.
Typ publikacji:
Journal Article
MeSH Terms:
Oligopeptides*/chemistry
Protein Folding*
Amino Acid Sequence ; Molecular Conformation ; Polysaccharides
Czasopismo naukowe
Tytuł:
SENSAAS-Flex: a joint optimization approach for aligning 3D shapes and exploring the molecular conformation space.
Autorzy:
Biyuzan H; Université Côte d'Azur, CNRS UMR7271, I3S, Sophia Antipolis 06900, France.
Masrour MA; Université Côte d'Azur, CNRS UMR7271, I3S, Sophia Antipolis 06900, France.
Grandmougin L; Université Côte d'Azur, CNRS UMR7271, I3S, Sophia Antipolis 06900, France.
Payan F; Université Côte d'Azur, CNRS UMR7271, I3S, Sophia Antipolis 06900, France.
Douguet D; Université Côte d'Azur, Inserm U1323, CNRS UMR7275, IPMC, Valbonne 06560, France.
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Źródło:
Bioinformatics (Oxford, England) [Bioinformatics] 2024 Mar 04; Vol. 40 (3).
Typ publikacji:
Journal Article
MeSH Terms:
Algorithms*
Software*
Molecular Conformation ; Ligands
Czasopismo naukowe
Tytuł:
Sequence-dependent material properties of biomolecular condensates and their relation to dilute phase conformations.
Autorzy:
Sundaravadivelu Devarajan D; Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, TX, 77843, USA. .
Wang J; Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, TX, 77843, USA.
Szała-Mendyk B; Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, TX, 77843, USA.
Rekhi S; Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, TX, 77843, USA.
Nikoubashman A; Leibniz-Institut für Polymerforschung Dresden e.V., Hohe Straße 6, 01069, Dresden, Germany.; Institut für Theoretische Physik, Technische Universität Dresden, 01069, Dresden, Germany.; Cluster of Excellence Physics of Life, Technische Universität Dresden, 01062, Dresden, Germany.
Kim YC; Center for Materials Physics and Technology, Naval Research Laboratory, Washington, DC, 20375, USA.
Mittal J; Artie McFerrin Department of Chemical Engineering, Texas A&M University, College Station, TX, 77843, USA. .; Department of Chemistry, Texas A&M University, College Station, TX, 77843, USA. .; Interdisciplinary Graduate Program in Genetics and Genomics, Texas A&M University, College Station, TX, 77843, USA. .
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Źródło:
Nature communications [Nat Commun] 2024 Mar 01; Vol. 15 (1), pp. 1912. Date of Electronic Publication: 2024 Mar 01.
Typ publikacji:
Journal Article
MeSH Terms:
Biomolecular Condensates*
Engineering*
Molecular Conformation ; Phase Separation ; Rheology
Czasopismo naukowe
Tytuł:
Conformational Control in Diterpene Synthase TlnA: Elucidating the Mechanism of 5-8-6 Skeleton Formation through Ring Expansion.
Autorzy:
Li F; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Lai S; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Yuan W; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Chen Z; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Guan Z; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Chen C; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Zhu H; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Zhou Y; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Winter JM; Department of Medicinal Chemistry, University of Utah College of Pharmacy, Salt Lake City, Utah 84112, United States.
Xiang Z; Oncogenomics, Guangdong Provincial Key Laboratory of Chemical Genomics, School of Chemical Biology and Biotechnology, Peking University Shenzhen Graduate School, Shenzhen, Guangdong 518055, P. R. China.
Liu J; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Ye Y; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
Zhang Y; Hubei Key Laboratory of Natural Medicinal Chemistry and Resource Evaluation, School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, P. R. China.
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Źródło:
Organic letters [Org Lett] 2024 Mar 01; Vol. 26 (8), pp. 1734-1738. Date of Electronic Publication: 2024 Feb 16.
Typ publikacji:
Journal Article
MeSH Terms:
Skeleton*
Diterpenes*
Molecular Conformation ; Radiopharmaceuticals
Czasopismo naukowe
Tytuł:
Decoding the conformational binding of drug mixtures on ovalbumin: An integrated multimodal network.
Autorzy:
González-Durruthy M; Soft Matter and Molecular Biophysics Group, Department of Applied Physics and Institute of Materials (iMATUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain; NanoSafety Group, International Iberian Nanotechnology Laboratory, Braga 4715-330, Portugal. Electronic address: .
Rial R; Soft Matter and Molecular Biophysics Group, Department of Applied Physics and Institute of Materials (iMATUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain.
Ruso JM; Soft Matter and Molecular Biophysics Group, Department of Applied Physics and Institute of Materials (iMATUS), University of Santiago de Compostela, 15782 Santiago de Compostela, Spain.
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Źródło:
International journal of biological macromolecules [Int J Biol Macromol] 2024 Mar; Vol. 261 (Pt 2), pp. 129866. Date of Electronic Publication: 2024 Jan 30.
Typ publikacji:
Journal Article
MeSH Terms:
Surface-Active Agents*/chemistry
Ovalbumin/chemistry ; Cetrimonium ; Binding Sites ; Molecular Conformation ; Circular Dichroism ; Protein Binding ; Spectrometry, Fluorescence/methods
Czasopismo naukowe

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