المؤلفون: Tiejun Dong (11269421), Tong Gong (618843), Wenfei Li (1461220)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Biotechnology, Immunology, Cancer, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Solvent Accessible Surface Area, Deep Learning Coarse-grained, CG structures, CG biomolecular structures, CG protein models, estimation, learning-based SASA estimator, drug design, Extensive testing analysis, CG RNA structures, Coarse-Grained Biomolecular Structures

العلاقة: https://figshare.com/articles/journal_contribution/Accurate_Estimation_of_Solvent_Accessible_Surface_Area_for_Coarse-Grained_Biomolecular_Structures_with_Deep_Learning/15161159Test

الإتاحة: https://doi.org/10.1021/acs.jpcb.1c05203.s001Test

المؤلفون: Wenting Wu (174490), Yu Gu (162342), Wendong Li (3556349), Quan Ding (648221), Yongmei Guan (356563), Wenjun Liu (162986), Qiongzhu Wu (8484042), Weifeng Zhu (419164)

مصطلحات موضوعية: Biophysics, Medicine, Pharmacology, Biotechnology, Mental Health, Infectious Diseases, Computational Biology, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, HS 15 ratio, drug location study, DTX, 1 H NMR, distribution principle, FS, solvent-accessible surface area, drug release behavior, TEM, SASA, PMM, transmission electron microscopy, PUE, CGMD, drug-loading stability, Drug-Loaded Mixed Micellar Systems

العلاقة: https://figshare.com/articles/journal_contribution/Understanding_the_Synergistic_Correlation_between_the_Spatial_Distribution_of_Drug-Loaded_Mixed_Micellar_Systems_and_i_In_Vitro_i_Behavior_i_via_i_Experimental_and_Computational_Approaches/14291008Test

الإتاحة: https://doi.org/10.1021/acs.molpharmaceut.0c01095.s001Test

المؤلفون: Jingru Xie (8452731), Aaron T. Frank (1340817)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Neuroscience, Biotechnology, Cancer, Plant Biology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, LASER, aptamer domain, RNA, bind small-molecule ligands, solvent-accessible surface area, SAM-I riboswitch aptamer domain, Solvent Accessibility Data, SASA, binding pocket, riboswitch aptamer domains, ensemble

العلاقة: https://figshare.com/articles/journal_contribution/RNA_Ensembles_from_Solvent_Accessibility_Data_Application_to_the_SAM_I_Riboswitch_Aptamer_Domain/14372064Test

الإتاحة: https://doi.org/10.1021/acs.jpcb.0c11503.s001Test

المؤلفون: Gerhard Meissner, Daniel A. Pasek, Venkat R. Chirasani

المصدر: The Journal of Biological Chemistry

مصطلحات موضوعية: AMPPCP, phosphomethylphosphonic acid adenylate ester, Allosteric regulation, AMPPCP, Adenylate kinase, EC, excitation–contraction, Biochemistry, CSol, core α-solenoid, allosteric communications, MH, malignant hyperthermia, Adenosine Triphosphate, PDB, Protein Data Bank, Caffeine, medicine, ryanodine receptor, Humans, Binding site, skeletal muscle, Muscle, Skeletal, Molecular Biology, ATP/Caf, ATP and caffeine, RYR1, RyR1, ryanodine receptor type 1, calcium, Binding Sites, Chemistry, Ryanodine receptor, Endoplasmic reticulum, Skeletal muscle, SR, sarcoplasmic reticulum, Ryanodine Receptor Calcium Release Channel, Cell Biology, molecular dynamics simulations, SASA, solvent-accessible surface area, musculoskeletal system, RyR, ryanodine receptor, MD, molecular dynamics, CTD, C-terminal domain, sarcoplasmic reticulum, TaF, thumb and forefingers, ATP, medicine.anatomical_structure, HEK293 Cells, Biophysics, medicine.symptom, tissues, Caf, caffeine, Muscle contraction, Research Article, Protein Binding

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78404ea88e6d2d9f7b54181373815385Test
http://europepmc.org/articles/PMC8408527Test

المؤلفون: Normi D. Gajjar, Tejas M. Dhameliya, Gaurang B. Shah

المصدر: Journal of Molecular Structure

مصطلحات موضوعية: RdRp, MD simulation, Molecular dynamic simulation, RoG, Radius of gyration, Coronavirus disease 2019 (COVID-19), Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), medicine.medical_treatment, viruses, RdRP, RNA-dependent RNA polymerase, RNA-dependent RNA polymerase, SARS CoV-2, Computational biology, 010402 general chemistry, RMSF, Root mean square fluctuation, 01 natural sciences, EM, Electron microscopy, Article, RMSD, Root mean square deviation, WHO, World health organization, Analytical Chemistry, PLpro, Papain-like protease, Inorganic Chemistry, HB, Hydrogen bond, Molecular dynamics, ADMET, Absorption, distribution, metabolism, excretion, and toxicity, medicine, SP, Standard precision, Spectroscopy, SASA, Solvent accessible surface area, Natural products, Protease, nsp, Non-structural protein, ASL, Atom specification language, 010405 organic chemistry, Chemistry, Drug discovery, Organic Chemistry, COVID-19, Corona virus disease-2019, MD simulation, SARS CoV-2, Severe acute respiratory syndrome coronavirus 2, ACE, Angiotensin converting enzyme, 0104 chemical sciences, Mpro, Main protease, 3CLpro, 3-chymotrypsin-like protease, Molecular docking, Severe acute respiratory syndrome coronavirus, Pharmacophore, Dscore, Druggability score, Mpro

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cbcd86929c630bee0f02aea8eacba86Test
https://pubmed.ncbi.nlm.nih.gov/33903778Test

المؤلفون: Yue Sun, Galahad Deperalta, Saeed Izadi, Matthew D. Callahan, Aaron T. Wecksler

المصدر: The Journal of Biological Chemistry

مصطلحات موضوعية: 0301 basic medicine, Glycosylation, Protein Conformation, DNA Mutational Analysis, Receptors, Fc, Biochemistry, Fragment antigen-binding, Receptor, FA, formic acid, Antibody-dependent cell-mediated cytotoxicity, biology, Chemistry, Editors' Pick, afucosylation, N297, asparagine 297, Fab, fragment antigen-binding, Antibody, mAbs, monoclonal antibodies, Research Article, antibody-dependent cellular cytotoxicity, Protein Binding, Glycan, Fuc, fucose, medicine.drug_class, Fab–Fc receptor interactions, CHO Cells, LC, light chain, Molecular Dynamics Simulation, Immunoglobulin light chain, Monoclonal antibody, CHO, Chinese hamster ovary, fast photochemical oxidation of proteins (FPOP), Immunoglobulin Fab Fragments, 03 medical and health sciences, FcγRIIIa, Cricetulus, nG0-F, normalized G0-F, medicine, Animals, Molecular Biology, Fucose, mAb, IgG1, immunoglobulin G1, ADCC, antibody-dependent cellular cytotoxicity, 030102 biochemistry & molecular biology, Hydroxyl Radical, IgG1, HC, heavy chain, Antibody-Dependent Cell Cytotoxicity, SASA, solvent-accessible surface area, Cell Biology, Fragment crystallizable region, molecular dynamics, 030104 developmental biology, Immunoglobulin G, Mutation, hydroxyl radical footprinting-mass spectrometry, biology.protein, Biophysics, HRF, hydroxyl radical footprint, HDX, hydrogen–deuterium exchange

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc1434bc455747921029f61b4b0ee4f0Test
https://doi.org/10.1016/j.jbc.2021.100826Test

المؤلفون: Bernhard C. Lechtenberg, Maricel Gomez-Soler, Marina P. Gehring, Zichen Wang, Taylor P. Light, Kelly Karl, Elena B. Pasquale, Taras V. Pogorelov, Kalina Hristova, Elmer Zapata-Mercado

المصدر: The Journal of Biological Chemistry

مصطلحات موضوعية: 0301 basic medicine, Mutant, Mutation, Missense, DMEM, Dulbecco’s modified eagle medium, medicine.disease_cause, Biochemistry, Receptor tyrosine kinase, RMSD, root mean square deviation, FIF, fluorescence intensity fluctuation, 03 medical and health sciences, PBS, phosphate buffered saline, Neoplasms, melanoma, medicine, Humans, LDS, lithium dodecyl sulfate, Ephrin, FSI, fully quantified spectral imaging, Kinase activity, Molecular Biology, SAM, sterile alpha motif, Mutation, FRET, Föster resonance energy transfer, 030102 biochemistry & molecular biology, biology, phosphorylation, Chemistry, Autophosphorylation, Receptor, EphA4, Erythropoietin-producing hepatocellular (Eph) receptor, HRP, horseradish peroxidase, Cell Biology, ALS, amyotrophic lateral sclerosis, MD, molecular dynamics, molecular dynamics, Cell biology, Sterile Alpha Motif, HEK293 Cells, 030104 developmental biology, receptor tyrosine kinase, FRET, MSE, mean squared error, biology.protein, SASA, solvent accessible surface area, Protein Multimerization, Sterile alpha motif, Signal Transduction, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3935e9df6565e4ef06f9dce1b7624c7Test
https://doi.org/10.1016/j.jbc.2021.100876Test

المؤلفون: Ayon Chakraborty, Snehasis Chowdhuri, Rajesh Ghosh, Ashis Biswas

المصدر: Journal of Molecular Structure

مصطلحات موضوعية: Drug, Justicia adhatoda, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), In silico, media_common.quotation_subject, medicine.medical_treatment, Abbreviations used: COVID-19, corona virus disease 2019, Pharmacology, SARS CoV-2 main protease, Article, RMSF, root mean square fluctuation, Analytical Chemistry, RMSD, root mean square deviation, Inorganic Chemistry, Alkaloids, medicine, Vasaka, Spectroscopy, Darunavir, media_common, Protease, biology, Chemistry, Alkaloid, Organic Chemistry, COVID-19, Lopinavir, Docking and molecular dynamics simulation, Rg, radius of gyration, SARS CoV-2, severe acute respiratory syndrome corona virus-2, biology.organism_classification, MD, molecular dynamics, Mpro, main protease, SASA, solvent accessible surface area, medicine.drug

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::499cb9e99987c177bd892a28679a1ebeTest
https://doi.org/10.1016/j.molstruc.2020.129489Test

المؤلفون: Giovanni Grazioso, Jacopo Sgrignani, Maura Garofalo, Enrico M. A. Fassi, Gianluca D'Agostino, Valentina Cecchinato, Mariagrazia Uguccioni, Andrea Cavalli

المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 17, Iss, Pp 886-894 (2019)

مصطلحات موضوعية: fr-HMGB1, Full reduced High-mobility Group Box 1, MD, Molecular dynamics, RoG, Radius of gyration, ds-HMGB1, Disulfide High-mobility Group Box 1, lcsh:Biotechnology, Biophysics, Inflammation, chemical and pharmacologic phenomena, Molecular dynamics, HMGB1, Biochemistry, Redox, CXCR4, C-X-C chemokine receptor type 4, RMSD, Root mean square deviation, 03 medical and health sciences, Chemokine receptor, 0302 clinical medicine, Structural Biology, Oxidation state, lcsh:TP248.13-248.65, Tissue damage, Genetics, medicine, Extracellular, 030304 developmental biology, Protein-protein docking, SASA, Solvent accessible surface area, 0303 health sciences, biology, Chemistry, TLR2 or TLR4, Toll-like Receptor 2 or 4, CXCL12, Computer Science Applications, 3. Good health, CXCL12, C-X-C motif chemokine 12, 030220 oncology & carcinogenesis, biology.protein, Conformational ensemble, medicine.symptom, HMGB1, High-mobility Group Box 1, Biotechnology, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02533e8682962aec0fc1b3fbb802b3d5Test

المؤلفون: Robert L. Hudkins, Bruce D. Dorsey, Torsten Herbertz, John P. Mallamo, Arup K. Ghose

المصدر: ACS Chemical Neuroscience

مصطلحات موضوعية: Drug, Physiology, Research areas, Cognitive Neuroscience, media_common.quotation_subject, Central nervous system, Disease, chemoinformatics, Biochemistry, Brain cancer, chemical substructures, Medicine, solvent accessible surface area, media_common, molecular volume, Drug discovery, business.industry, non-CNS drugs, Cell Biology, General Medicine, physicochemical property profile, aliphatic amine, medicine.anatomical_structure, linear chains, Aliphatic amine, polar hydrogen, CNS, polar surface area, business, CNS drugs, Neuroscience, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9082302be26311a31e107b9e1fc8d1efTest
https://doi.org/10.1021/cn200100hTest