المؤلفون: Rollins, Zachary A, Faller, Roland, George, Steven C

المصدر: Computational and Structural Biotechnology Journal. 20:2124-2133

مصطلحات موضوعية: LJ Contact, Biophysics, Biochemistry, Mechanosensing, Structural Biology, Genetics, solvent accessible surface area, standard error of measurement, peptide-major histocompatibility complex, TCR-pMHC, COM, SASA, H-Bond, hydrogen bond, root mean square fluctuations, Numerical and Computational Mathematics, SMD, pMHC, Computation Theory and Mathematics, Lennard-Jones contact, APC, RMSF, Computer Science Applications, Kinetics, center of mass, antigen presenting cell, SEM, Immunotherapy, steered molecular dynamics, T cell receptor, TCR, Force-dependent, Biotechnology

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ac7ef298c9bf931b84f4471cf671e50Test
https://doi.org/10.1016/j.csbj.2022.04.018Test

المؤلفون: Valerio Santucci, Paolo Calligari, Gianfranco Bocchinfuso, Lorenzo Stella

المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 6125-6139 (2021)

مصطلحات موضوعية: SHP2, Src homology 2 domain-containing phosphatase 2, CTLA-4, cytotoxic T lymphocyte-associated antigen 4, NSML, Noonan syndrome with multiple lentigines, Allosteric regulation, Phosphatase, Biophysics, Protein Data Bank (RCSB PDB), Protein tyrosine phosphatase, FRET, Förster resonance energy transfer, SH2 domain, Biochemistry, PD-1, programmed cell death protein 1, RMSF, root mean square fluctuation, RMSD, root mean square deviation, SAXS, small angle X-ray scattering, PMF, potential of mean force, Settore CHIM/02, Structural Biology, NS, Noonan syndrome, Genetics, Protein flexibility, pY, phosphorylated tyrosine, Binding site, PDB, protein data bank, ComputingMethodologies_COMPUTERGRAPHICS, JMML, juvenile myelomonocytic leukemia, biology, Chemistry, Wild type, Active site, SHP2 regulatory mechanism, REMD, replica exchange molecular dynamics, MD, molecular dynamics, SIRPalpha, signal regulatory protein alpha, Computer Science Applications, Inter-domain dynamics, Replica exchange molecular dynamics simulations, biology.protein, SASA, solvent accessible surface area, RTK, receptor tyrosine kinase, BTLA, B and T lymphocyte attenuator, PTP, protein tyrosine phosphatase, TP248.13-248.65, SH2, Src homology 2, Biotechnology, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea624e0755bc37ad67461a27a6e74f48Test
https://pubmed.ncbi.nlm.nih.gov/34900129Test

المؤلفون: Shahid Khan, Muhammad Farhan Khalid, Safee Ullah Chaudhary, Maham Hamid

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 21; Pages: 12771

مصطلحات موضوعية: Inorganic Chemistry, Organic Chemistry, General Medicine, Physical and Theoretical Chemistry, Molecular Biology, Spectroscopy, Catalysis, solvent accessible surface area (SASA), mass spectroscopy, protein phosphorylation, protection factor (PF), MATLAB toolbox, structured water, protein fold energetics, Computer Science Applications

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::808e208b8b43c7926c1fb53f6f38d75dTest
https://doi.org/10.3390/ijms232112771Test

المؤلفون: Joon Sang Lee, Shinill Kang, Hae Gon Lee

المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 19, Iss, Pp 3372-3383 (2021)

مصطلحات موضوعية: Protein G, spG, Streptococcal Protein G, RMSD, Root Mean Square Deviation, Biophysics, ELISA, Enzyme-linked Immunosorbent Assays, SASA, Solvent Accessible Surface Area, spA, Staphylococcal Protein A, MD, Molecular Dynamics, Molecular dynamics, Affinity chromatography, Biochemistry, DNA-binding protein, Protein docking, 03 medical and health sciences, 0302 clinical medicine, SMD, Steered Molecular Dynamics, Structural Biology, Genetics, Fc, Fragment Crystallizable, Macromolecular docking, 030304 developmental biology, ComputingMethodologies_COMPUTERGRAPHICS, chemistry.chemical_classification, 0303 health sciences, APBS, Advanced Poisson–Boltzmann Solver, biology, IgG, Immunoglobulin G, Chemistry, Hydrogen bond, Ligand (biochemistry), Computer Science Applications, Amino acid, MM/PBSA, Molecular Mechanics Poisson–Boltzmann Surface Area, BIR, Between Protein–Protein Interface Residues, 030220 oncology & carcinogenesis, AFM, Atomic Force Microscopy, Immunoglobulin G, biology.protein, Protein A, TP248.13-248.65, Biotechnology, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9516f000062daef8c0c3017e705a61d3Test
https://pubmed.ncbi.nlm.nih.gov/34194664Test

المؤلفون: Shankar Prasad Kanaujia, Prerana Gogoi

المصدر: Computational and Structural Biotechnology Journal, Vol 17, Iss, Pp 333-344 (2019)
Computational and Structural Biotechnology Journal

مصطلحات موضوعية: R15P, ribose-1,5-bisphosphate, lcsh:Biotechnology, Biophysics, NMP, nucleoside 5′-monophosphate, Pentose, Isomerase, Pentose phosphate pathway, R15Pi, ribose-1,5-bisphosphate isomerase, Biochemistry, RMSF, root mean square fluctuation, RMSD, root mean square deviation, 03 medical and health sciences, chemistry.chemical_compound, Ribulose-1,5-bisphosphate, 0302 clinical medicine, Nucleoside 5′-monophosphate degradation pathway, Structural Biology, lcsh:TP248.13-248.65, Molecular dynamics simulation, Ribose, Genetics, ADP-R1P, ADP-dependentribose-1-phosphate, Binding site, ASU, asymmetric unit, 030304 developmental biology, chemistry.chemical_classification, 0303 health sciences, RuBisCO, ribulose-1,5-bisphosphate carboxylase/oxygenase, biology, EFBE, estimated free energy of binding, LGA, Lamarckian genetic algorithm, Active site, Substrate (chemistry), Invariant water molecule, MD, molecular dynamics, 3-PGA, 3-phosphoglycerate, Computer Science Applications, Enzyme, chemistry, Ribose-1,5-bisphosphate, RuBP, ribulose-1,5-bisphosphate, 030220 oncology & carcinogenesis, Molecular docking, biology.protein, SASA, solvent accessible surface area, R1P, ribose-1-phosphate, Research Article, Biotechnology

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4df8ca57bee8665c7a9efe8536c2ec57Test
http://www.sciencedirect.com/science/article/pii/S2001037019300054Test

المؤلفون: Kenji Yasuoka, Wresti L. Anggayasti, Ricardo L. Mancera, Eiji Yamamoto, Erik Helmerhorst, Kenta Ogino

المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 18, Iss, Pp 1160-1172 (2020)

مصطلحات موضوعية: Circular dichroism, HMGB1, High Mobility Group Box 1, lcsh:Biotechnology, Biophysics, chemical and pharmacologic phenomena, Coarse-grained molecular dynamics simulations, Biochemistry, RAGE (receptor), 03 medical and health sciences, Molecular dynamics, 0302 clinical medicine, Structural Biology, Glycation, lcsh:TP248.13-248.65, Genetics, Molecule, CG, coarse-grained, Receptor, Protein secondary structure, 030304 developmental biology, ComputingMethodologies_COMPUTERGRAPHICS, chemistry.chemical_classification, HMGB1, 0303 health sciences, PACE, proteins with atomic details in a coarse-grained environment, PACE, MD, molecular dynamics, Computer Science Applications, Amino acid, CD, Circular dichroism, chemistry, 030220 oncology & carcinogenesis, SASA, solvent accessible surface area, Acidic tail, Biotechnology, Research Article

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9974bff714fbf9beab0133bf9975b1dcTest
https://pubmed.ncbi.nlm.nih.gov/32514327Test

المؤلفون: Csaba Magyar, Anikó Mentes, István Simon, Erzsébet Fichó

المصدر: International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 20, Iss 20, p 5136 (2019)
Volume 20
Issue 20

مصطلحات موضوعية: Protein Folding, Globular protein, Protein Conformation, Intrinsically disordered proteins, Catalysis, Article, Inorganic Chemistry, lcsh:Chemistry, chemistry.chemical_compound, Structure-Activity Relationship, dehydrons, solvent accessible surface area, Physical and Theoretical Chemistry, Molecular Biology, Peptide sequence, lcsh:QH301-705.5, ion-pairs, Spectroscopy, chemistry.chemical_classification, mutual synergistic folding, Organic Chemistry, Intermolecular force, stabilization centers, General Medicine, Computer Science Applications, Amino acid, Folding (chemistry), Intrinsically Disordered Proteins, Crystallography, Monomer, inter-subunit interactions, Amino acid composition, chemistry, lcsh:Biology (General), lcsh:QD1-999, Protein Multimerization, Protein Binding

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a90bcbf89d87b4f4fdc51ec5ac97344eTest
http://europepmc.org/articles/PMC6829572Test

المؤلفون: Debby D. Wang, Hong Yan, Le Ou-Yang, Mengxu Zhu, Haoran Xie

المصدر: Computational and Structural Biotechnology Journal
Computational and Structural Biotechnology Journal, Vol 18, Iss, Pp 439-454 (2020)

مصطلحات موضوعية: Computer science, computer.software_genre, Biochemistry, LSTM, long short-term memory, MM/PBSA, molecular mechanics/Poisson-Boltzmann surface area, Molecular dynamics, 0302 clinical medicine, Structural Biology, Feature (machine learning), ctd, composition transition and distribution descriptors, Missense mutation, 0303 health sciences, aacomp, amino acid composition descriptors, MD, molecular dynamics, kappa, Kappa shape indices, Computer Science Applications, RF, random forest, Local geometrical features, HMM, hidden Markov model, MM/GBSA, molecular mechanics/generalized born surface area, 030220 oncology & carcinogenesis, Mutation (genetic algorithm), Benchmark (computing), const, constitutional descriptors, F1 score, Research Article, Biotechnology, CNN, convolutional neural network, RNN, recurrent neural network, lcsh:Biotechnology, Mutation impact, Biophysics, Protein-ligand binding affinity, Machine learning, WTP, wildtype protein, 03 medical and health sciences, lcsh:TP248.13-248.65, Molecular descriptor, Molecular dynamics (MD) simulations, Genetics, RMSD, root-mean-square deviation, paacomp, type 1 pseudo amino acid composition descriptors, ComputingMethodologies_COMPUTERGRAPHICS, 030304 developmental biology, business.industry, Deep learning, Time series features, SASA, solvent accessible surface area, Artificial intelligence, top, topological descriptors, business, computer, Protein ligand

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56eb3e3664a39ab89cc044b4cac064c7Test
https://pubmed.ncbi.nlm.nih.gov/32153730Test

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: Lars Folke Olsen, Marco Montefiori, Anthony Long, Flemming Jørgensen, Casper Lyngholm-Kjærby

المصدر: Montefiori, M, Lyngholm-Kjærby, C, Long, A, Olsen, L & Jørgensen, F S 2019, ' Fast Methods for Prediction of Aldehyde Oxidase-Mediated Site-of-Metabolism ', Computational and Structural Biotechnology Journal, vol. 17, pp. 345-351 . https://doi.org/10.1016/j.csbj.2019.03.003Test
Computational and Structural Biotechnology Journal, Vol 17, Iss, Pp 345-351 (2019)
Computational and Structural Biotechnology Journal

مصطلحات موضوعية: lcsh:Biotechnology, Metabolite, Biophysics, Biochemistry, 03 medical and health sciences, chemistry.chemical_compound, 0302 clinical medicine, Structural Biology, Computational chemistry, lcsh:TP248.13-248.65, Chemical shielding, Genetics, Molecule, Aldehyde oxidase, 030304 developmental biology, 0303 health sciences, Drug metabolism, Chemistry, Drug discovery, Chemical shift, Solvent accessible surface area, ESP charges, Metabolism, 3. Good health, Computer Science Applications, 030220 oncology & carcinogenesis, Sites of metabolism, Density functional theory, Research Article, Biotechnology

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::665c8ea6ce3f95f2acce51bee9baa691Test
https://curis.ku.dk/ws/files/233783921/1_s2.0_S2001037018303192_main.pdfTest