المؤلفون: A. R. Karthiga, S. Divyabharathi, R. Reshwen Shalo, K. Rajeswari, T. Vidhyasagar, S. Selvanayagam

المصدر: Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 10, Pp 1014-1019 (2024)

مصطلحات موضوعية: crystal structure, piperidine derivatives, superposition, c—h...o intramolecular interactions, c—h...o intermolecular hydrogen bonds, hirshfeld surface analysis, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: https://journals.iucr.org/paper?S2056989024008508; https://doaj.org/toc/2056-9890

URL الوصول: https://doaj.org/article/f8e36f8fe16c46f69ac9588d8917c076

المؤلفون: Joel Heisler, Daniel Kovner, Saeed Izadi, Jonathan Zarzar, Paul J. Carter

المصدر: mAbs, Vol 16, Iss 1 (2024)

مصطلحات موضوعية: Intermolecular interactions, intramolecular interactions, molecular dynamics, rheology, self-association, subcutaneous delivery, Therapeutics. Pharmacology, RM1-950, Immunologic diseases. Allergy, RC581-607

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1942-0862; https://doaj.org/toc/1942-0870

URL الوصول: https://doaj.org/article/1c2c74ea9eeb426685561bfdd47cda1b

المؤلفون: Francesca Malagrinò, Elena Puglisi, Livia Pagano, Carlo Travaglini-Allocatelli, Angelo Toto

المصدر: Biochemistry and Biophysics Reports, Vol 39, Iss , Pp 101803- (2024)

مصطلحات موضوعية: Protein-protein interactions, adaptor proteins, Intramolecular interactions, GRB2, Biology (General), QH301-705.5, Biochemistry, QD415-436

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2405580824001675; https://doaj.org/toc/2405-5808

URL الوصول: https://doaj.org/article/4d1e56f4755e4ccd9e4ff1db49f9c690

المؤلفون: Eleftheria Chatziorfanou, Atilio Reyes Romero, Lotfi Chouchane, Alexander Dömling

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Developmental Biology, Science Policy, Virology, Chemical Sciences not elsewhere classified, latter interaction serves, known multicomponent reactions, hydrogen bond acceptor, frontier orbital concept, different interaction classes, crucial experimental detail, cambridge crystallographic database, multiatom functional groups, isocyanide intramolecular interactions, functional groups, intramolecular interactions, functional group, intermolecular interactions, interactions involving, unique feature, typically separated, type mechanisms, terminal carbon, supported analysis, solid state, significant implications, rationalized using, organic chemistry

Relation: https://figshare.com/articles/journal_contribution/Crystal_Clear_Decoding_Isocyanide_Intermolecular_Interactions_through_Crystallography/24943827

الاتاحة: https://doi.org/10.1021/acs.joc.3c02038.s001
https://figshare.com/articles/journal_contribution/Crystal_Clear_Decoding_Isocyanide_Intermolecular_Interactions_through_Crystallography/24943827

المؤلفون: Eisenstein, Odile

المساهمون: Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), Hylleraas Centre for Quantum Molecular Sciences (Hylleraas), Department of Chemistry Oslo, Faculty of Mathematics and Natural Sciences Oslo, University of Oslo (UiO)-University of Oslo (UiO)-Faculty of Mathematics and Natural Sciences Oslo, University of Oslo (UiO)-University of Oslo (UiO)

المصدر: ISSN: 1631-0748.

مصطلحات موضوعية: Reaction mechanism Stereochemistry Nucleophile Carbonyl Computational chemistry Analysis of intramolecular interactions, Reaction mechanism, Stereochemistry, Nucleophile, Carbonyl, Computational chemistry, Analysis of intramolecular interactions, [CHIM.CHEM]Chemical Sciences/Cheminformatics

الاتاحة: https://hal.science/hal-04651942
https://hal.science/hal-04651942v1/document
https://hal.science/hal-04651942v1/file/Eisenstein%20Comptes%20rendus%202024.pdf
https://doi.org/10.5802/crchim.298

المؤلفون: Bos, Tijmen S., Philipsen, Harry J.A., Staal, Bastiaan B.P., Purmova, Jindra, Beerends, René J.L., Buijtenhuijs, Ab, Karlson, Leif, Schoenmakers, Peter J., Somsen, Govert W.

المصدر: Bos , T S , Philipsen , H J A , Staal , B B P , Purmova , J , Beerends , R J L , Buijtenhuijs , A , Karlson , L , Schoenmakers , P J & Somsen , G W 2024 , ' Quantitative assessment of polymer molecular shape based on changes in the slope of the Mark-Houwink plot derived from size-exclusion chromatography with triple detection ' , Journal of Applied Polymer Science , vol. 141 , no. 9 , e55013 . https://doi.org/10.1002/app.55013

مصطلحات موضوعية: inter- and intramolecular interactions, Mark-Houwink plots, polymer branching, polymer characterization, size-exclusion chromatography, triple detection

الاتاحة: https://research.vu.nl/en/publications/3f43ec30-1321-47d0-bcc0-dfe3f16bd021
https://doi.org/10.1002/app.55013
https://hdl.handle.net/1871.1/3f43ec30-1321-47d0-bcc0-dfe3f16bd021
http://www.scopus.com/inward/record.url?scp=85179332666&partnerID=8YFLogxK
http://www.scopus.com/inward/citedby.url?scp=85179332666&partnerID=8YFLogxK

المؤلفون: Vladimir Gorshkov, Frank Kjeldsen

مصطلحات موضوعية: Biochemistry, Medicine, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, peptide property space, peptide identification rate, mean cosine similarity, learning model capable, known among experimentalists, extensive time intervals, constitutional peptide isomers, consistently observed around, probe intramolecular interactions, direct infusion proteomics, based proteomics experiments, intramolecular structures, still holds, phosphorylated peptides, mass analyzers, human proteome, even though, enhanced discrimination, electrospray ionization, dominant technique, 98 )

Relation: https://figshare.com/articles/journal_contribution/Exploiting_Charge_State_Distribution_To_Probe_Intramolecular_Interactions_in_Gas-Phase_Phosphopeptides_and_Enhance_Proteomics_Analyses/24953679

الاتاحة: https://doi.org/10.1021/acs.analchem.3c04270.s001
https://figshare.com/articles/journal_contribution/Exploiting_Charge_State_Distribution_To_Probe_Intramolecular_Interactions_in_Gas-Phase_Phosphopeptides_and_Enhance_Proteomics_Analyses/24953679

المؤلفون: C. Selva Meenatchi, R. Vishnupriya, J. Suresh, S. Raja Rubina, S. Selvanayagam, S. R. Bhandari

المصدر: Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 4, Pp 392-396 (2023)

مصطلحات موضوعية: crystal structure, azabicyclo derivatives, superposition, c—h...o intramolecular interactions, c—h...o intermolecular hydrogen bonds, hirshfeld surface analysis, Crystallography, QD901-999

وصف الملف: electronic resource

Relation: http://scripts.iucr.org/cgi-bin/paper?S205698902300275X; https://doaj.org/toc/2056-9890

URL الوصول: https://doaj.org/article/47c03cd5a5574fed92b3a6140c46d736

المؤلفون: Estrada, Ernesto¹ ernesto.estrada@strath.ac.uk, Gambuzza, Lucia Valentina² lucia.gambuzza@dieei.unict.it, Frasca, Mattia² mattia.frasca@dieei.unict.it

المصدر: SIAM Journal on Applied Dynamical Systems. 2018, Vol. 17 Issue 1, p672-693. 22p.

مصطلحات موضوعية: *MATHEMATICAL analysis, LONG range intramolecular interactions, SYNCHRONIZATION, LAPLACIAN matrices, GRAPH theory, NUMERICAL analysis

المؤلفون: C. Geetha Priya, B. R. Venkatraman, I. Arockiaraj, S. Sowrirajan, N. Elangovan, Mohammad Shahidul Islam, Sakkarapalayam M. Mahalingam

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Synthesis, DFT, inter- and intramolecular interactions, topology, docking, antimicrobial activity

Relation: https://figshare.com/articles/journal_contribution/Antimicrobial_activity_prediction_inter-_and_intramolecular_charge_transfer_investigation_reactivity_analysis_and_molecular_docking_studies_of_adenine_derivatives/24586649

الاتاحة: https://doi.org/10.6084/m9.figshare.24586649.v1
https://figshare.com/articles/journal_contribution/Antimicrobial_activity_prediction_inter-_and_intramolecular_charge_transfer_investigation_reactivity_analysis_and_molecular_docking_studies_of_adenine_derivatives/24586649

المؤلفون: Flavia Aleotti, Vasilis Petropoulos, Hannah Van Overeem, Michele Pettini, Michele Mancinelli, Daniel Pecorari, Margherita Maiuri, Riccardo Medri, Andrea Mazzanti, Fabrizio Preda, Antonio Perri, Dario Polli, Irene Conti, Giulio Cerullo, Marco Garavelli

مصطلحات موضوعية: Biophysics, Biochemistry, Computational Biology, Chemical Sciences not elsewhere classified, quantum chemistry calculations, productive torsional motion, photoexcited state behavior, nonproductive symmetric cnn, lower excited state, energy barrier along, disperse blue dyes, disperse blue 366, disperse blue 165, intramolecular interactions stabilizing, photoactive azobenzene derivatives, engineering azobenzene derivatives, thus preventing photoisomerization, cis photoisomerization process, 4 ′- nitroazobenzene, planar trans isomer, photoisomerization process, trans isomer, thus favoring, intramolecular h, transient signals, traditional h, three poly, taken together, structural features, structural design

Relation: https://figshare.com/articles/journal_contribution/Engineering_Azobenzene_Derivatives_to_Control_the_Photoisomerization_Process/24746812

الاتاحة: https://doi.org/10.1021/acs.jpca.3c06108.s001
https://figshare.com/articles/journal_contribution/Engineering_Azobenzene_Derivatives_to_Control_the_Photoisomerization_Process/24746812

المؤلفون: Jorge Gutiérrez-Flores, Eduardo H Huerta, Gabriel Cuevas, Jorge Garza, Rubicelia Vargas

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, typically less stable, standing conflict behind, existing theoretical explanations, structural properties make, noncovalent interaction index, including organic synthesis, methyl group ’, water molecules prompt, dispersive interactions dominate, methyl group, noncovalent interactions, water molecules, structural behavior, organic chemistry, intramolecular interactions, work resolves, valuable molecules, tricyclic orthoamide, trans <, study investigates, stabilization factors, rare phenomenon, ranging applications, quantum theory

Relation: https://figshare.com/articles/journal_contribution/Revealing_the_Role_of_Noncovalent_Interactions_on_the_Conformation_of_the_Methyl_Group_in_Tricyclic_Orthoamide/24843807

الاتاحة: https://doi.org/10.1021/acs.joc.3c02016.s001
https://figshare.com/articles/journal_contribution/Revealing_the_Role_of_Noncovalent_Interactions_on_the_Conformation_of_the_Methyl_Group_in_Tricyclic_Orthoamide/24843807

المؤلفون: Yafei Luo, Lingkai Tang, Zhongzhu Chen, Zhigang Xu, Yanan An, Mingyao Li, Jianping Hu, Dianyong Tang

المصدر: Molecules; Volume 28; Issue 12; Pages: 4587

مصطلحات موضوعية: operation lifetime, tetradentate transition metal complex, intramolecular interactions, intermolecular interactions, TTA (triplet-triplet annihilation), OLED

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: https://dx.doi.org/10.3390/molecules28124587

الاتاحة: https://doi.org/10.3390/molecules28124587

المؤلفون: Ilya D. Gridnev

المصدر: International Journal of Molecular Sciences; Volume 24; Issue 6; Pages: 5568

مصطلحات موضوعية: asymmetric catalysis, asymmetric hydrogenation, DFT computation, mechanism of stereoselection, weak intramolecular interactions

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms24065568

الاتاحة: https://doi.org/10.3390/ijms24065568

المؤلفون: Christodoulidi, H.¹, Bountis, A.², Drossos, L.³

المصدر: European Physical Journal: Special Topics. Sep2018, Vol. 227 Issue 5/6, p563-573. 11p.

مصطلحات موضوعية: *LATTICE theory, *LONG range intramolecular interactions, *HAMILTONIAN systems, *KLEIN-Gordon equation, *LYAPUNOV exponents

المؤلفون: Hu Xiaoling, Jia Xingang, Su Kehe, Gu Xuefan

المصدر: Open Chemistry, Vol 18, Iss 1, Pp 576-583 (2020)

مصطلحات موضوعية: ionic liquids, conformations, frontier molecular orbitals, intramolecular interactions, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2391-5420

URL الوصول: https://doaj.org/article/c91756616c7c4bb495c062dd6410eac3

المؤلفون: Liang, Yihao¹, Xing, Xiangjun¹, Li, Yaohang²

المصدر: Journal of Computational Physics. Jun2017, Vol. 338, p252-268. 17p.

مصطلحات موضوعية: *LONG range intramolecular interactions, *MONTE Carlo method, *GRAPHICS processing units, *MANY-body perturbation calculations, *ELECTROLYTES, *PARALLEL programming, *MIMD computers

المؤلفون: Du Luu (14298991), Konrad Patkowski (1268661)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Molecular Biology, Biotechnology, Cancer, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, unphysical dipole moments, subsystems ), including, several pentanediol isomers, overcoming artificial multipoles, noncovalent interaction energy, artificial dipole moments, adapted perturbation theory, given fragment followed, fragment density matrices, examining intramolecular interactions, covalently connected via, intrinsic atomic orbitals, c , two molecular fragments, reassign one electron, mutually cancelling induction, many fragmentation patterns, improved isapt partitioning, b ,

Relation: https://figshare.com/articles/journal_contribution/Overcoming_Artificial_Multipoles_in_Intramolecular_Symmetry-Adapted_Perturbation_Theory/21777412

الاتاحة: https://doi.org/10.1021/acs.jpca.2c06465.s001

المؤلفون: Alessandro Nicoli (10379229), Andreas Dunkel (1466371), Toni Giorgino (4332820), Chris de Graaf (8219667), Antonella Di Pizio (120535)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Infectious Diseases, Plant Biology, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, seven main groups, second extracellular loop, highly conserved cysteine, extracellular loop 2, backbone volume overlaps, conformational differences within, high sequence variability, gpcr structural domains, experimental ecl2 structures, structural information, highlighting differences, gpcr subfamilies, analyzed structures, work provides, intramolecular interactions, intramolecular contacts, helices 4, gpcrmd website, g protein, coupled receptors, conformation levels

Relation: https://figshare.com/articles/journal_contribution/Classification_Model_for_the_Second_Extracellular_Loop_of_Class_A_GPCRs/19117113

الاتاحة: https://doi.org/10.1021/acs.jcim.1c01056.s001

المؤلفون: Fokoue, Harold H., Pinheiro, Pedro S. M., Fraga, Carlos A. M., Sant’Anna, Carlos M. R.

المصدر: Química Nova. January 2020 43(1)

مصطلحات موضوعية: medicinal chemistry, molecular recognition, intermolecular and intramolecular interactions

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422020000100078