-
1دورية أكاديمية
المؤلفون: Mohamed Ahmed, Jared Mackenzie, Liku Tezera, Robert Krause, Barry Truebody, Diana Garay-Baquero, Andres Vallejo, Katya Govender, John Adamson, Hayden Fisher, Jonathan W. Essex, Salah Mansour, Paul Elkington, Adrie J. C. Steyn, Alasdair Leslie
المصدر: Communications Biology, Vol 5, Iss 1, Pp 1-10 (2022)
مصطلحات موضوعية: Biology (General), QH301-705.5
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/2399-3642Test
-
2دورية أكاديمية
المؤلفون: Mabel T. Y. Wong, Sebastian Kelm, Xiaofeng Liu, Richard D. Taylor, Terry Baker, Jonathan W. Essex
المصدر: Frontiers in Immunology, Vol 13 (2022)
مصطلحات موضوعية: antibody-antigen interactions, antibody binding, antibody affinity, antibody interface hydration, CDR flexibility, molecular dynamics, Immunologic diseases. Allergy, RC581-607
وصف الملف: electronic resource
العلاقة: https://www.frontiersin.org/articles/10.3389/fimmu.2022.969176/fullTest; https://doaj.org/toc/1664-3224Test
-
3دورية أكاديمية
المؤلفون: Mabel T. Y. Wong, Sebastian Kelm, Xiaofeng Liu, Richard D. Taylor, Terry Baker, Jonathan W. Essex
المصدر: Frontiers in Immunology, Vol 13 (2022)
مصطلحات موضوعية: antibody-antigen interactions, antibody binding, antibody affinity, antibody interface hydration, CDR flexibility, molecular dynamics, Immunologic diseases. Allergy, RC581-607
وصف الملف: electronic resource
العلاقة: https://www.frontiersin.org/articles/10.3389/fimmu.2022.884110/fullTest; https://doaj.org/toc/1664-3224Test
-
4دورية أكاديمية
المؤلفون: Miroslav Suruzhon, Khaled Abdel-Maksoud, Micheal S. Bodnarchuk, Antonella Ciancetta, Ian D. Wall, Jonathan W. Essex
مصطلحات موضوعية: molecular dynamics, enhanced sampling, simulated tempering, irreversible Monte Carlo, adaptive Monte Carlo
العلاقة: info:eu-repo/grantAgreement/UKRI/EPSRC/EP/R029407/2/; info:eu-repo/grantAgreement/UKRI/EPSRC/EP/V048864/1/; info:eu-repo/grantAgreement/UKRI/EPSRC/EP/L015722/1/; info:eu-repo/grantAgreement/UKRI/EPSRC/EP/R029407/1/; https://zenodo.org/record/7688833Test; https://doi.org/10.5281/zenodo.7688833Test; oai:zenodo.org:7688833
الإتاحة: https://doi.org/10.5281/zenodo.7688833Test
https://doi.org/10.5281/zenodo.7688832Test
https://zenodo.org/record/7688833Test -
5دورية أكاديمية
المؤلفون: Miroslav Suruzhon, Khaled Abdel-Maksoud, Michael S. Bodnarchuk, Antonella Ciancetta, Ian D. Wall, Jonathan W. Essex
المساهمون: Suruzhon, Miroslav, Abdel-Maksoud, Khaled, Bodnarchuk, Michael S., Ciancetta, Antonella, Wall, Ian D., Essex, Jonathan W.
وصف الملف: ELETTRONICO
العلاقة: info:eu-repo/semantics/altIdentifier/pmid/38639317; info:eu-repo/semantics/altIdentifier/wos/WOS:001205641000003; volume:160; issue:15; firstpage:154110-1; lastpage:154110-13; journal:THE JOURNAL OF CHEMICAL PHYSICS; https://hdl.handle.net/11392/2545790Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85190914341
-
6
المؤلفون: João Morado, Paul N. Mortenson, J. Willem M. Nissink, Jonathan W. Essex, Chris-Kriton Skylaris
المصدر: Journal of Chemical Information and Modeling. 63:2810-2827
مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::d81d1bf17c4fa8245227450c823575baTest
https://doi.org/10.1021/acs.jcim.2c01510Test -
7
المؤلفون: Steven Turner, Jonathan W. Essex, Tim Elliott
المصدر: Biochemical Society Transactions. 51:275-285
مصطلحات موضوعية: Biochemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::e696a7b16e069381a680b6ba897dfd7cTest
https://doi.org/10.1042/bst20220782Test -
8دورية أكاديميةRimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity
المؤلفون: Jessica L. Thomaston (5742206), Marley L. Samways (11224592), Athina Konstantinidi (4852873), Chunlong Ma (278995), Yanmei Hu (481598), Hannah E. Bruce Macdonald (4624678), Jun Wang (5906), Jonathan W. Essex (39974), William F. DeGrado (276486), Antonios Kolocouris (1322580)
مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Physiology, Pharmacology, Biotechnology, Cancer, Infectious Diseases, Computational Biology, Chemical Sciences not elsewhere classified, Solid-state NMR experiments, inhibition, 37 residues mask, water layer, drug binding, M 2 Proton Channel, M 2 pore, M 2 wild-type, enantiomer, length-M 2 WT, M 2 WT pore, anti-influenza drug rimantadine, hydration, EC 50 values
-
9دورية أكاديمية
المؤلفون: João Morado (10345050), Paul N. Mortenson (1668091), Marcel L. Verdonk (2079703), Richard A. Ward (1629769), Jonathan W. Essex (39974), Chris-Kriton Skylaris (213803)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Biotechnology, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, drug candidates, data sets, Python package, nonbonded terms, MM simulations, norfloxacin analogue, force field parameterizations, parameterize druglike molecules, force field, dihedral scans, parameterization procedure, Automatic Parameterization, DNA, weighting methods, ParaMol, configurational ensembles, parameterization routes, druglike molecules, weight configurations
-
10دورية أكاديمية
المؤلفون: Miroslav Suruzhon (8627046), Michael S. Bodnarchuk (1472563), Antonella Ciancetta (164206), Russell Viner (1788688), Ian D. Wall (2525425), Jonathan W. Essex (39974)
مصطلحات موضوعية: Biophysics, Biochemistry, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, crystal structure, torsional ligand motions, Binding Free Energy Calculations, alchemical, AFE, drug discovery arsenal, energy values, energy calculations, Initial Protein Crystal Structure B.
النص الكامل