المؤلفون: Jianing Li, Kyle T. McKay, Jacob M. Remington, Severin T. Schneebeli

المصدر: Scientific Reports, Vol 11, Iss 1, Pp 1-9 (2021)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/2821bc4e151f414ba4c52588287f8f20

المؤلفون: Kyle McKay, Nicholas B. Hamilton, Jacob M. Remington, Severin T. Schneebeli, Jianing Li

المصدر: Frontiers in Molecular Biosciences, Vol 9 (2022)

مصطلحات موضوعية: computer aided drug design, PAC1 receptor, antagonist, virtual screening, molecular dynamics, principal component analysis, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2022.879212/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/cf0dcf8afb874bad88fbd8103b278822

المؤلفون: Chenyi Liao, Jacob M. Remington, Victor May, Jianing Li

المصدر: Frontiers in Molecular Biosciences, Vol 8 (2021)

مصطلحات موضوعية: G protein-coupled receptor, membrane protein, signaling, molecular dynamics, conformational transition, ligand selectivity, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2021.644644/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/50f2197f82304ab3b62f71c92c957025

المؤلفون: Xiaochuan Zhao (737365), Jacob M. Remington (10430672), Severin T. Schneebeli (547859), Stefan T. Arold (261112), Jianing Li (359834)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Genetics, Molecular Biology, Biotechnology, Ecology, Cancer, Inorganic Chemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, temperature-inducible strain, insight, histone-like nucleoid, Gram-positive bacteria, simulation, DNA binding, DNA interactions, mechanism, superhelical, Molecular Basis, Protein Filament, use multiscale modeling, environment sensor

Relation: https://figshare.com/articles/journal_contribution/Molecular_Basis_for_Environment_Sensing_by_a_Nucleoid-Structuring_Bacterial_Protein_Filament/15157039

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c01710.s001

المؤلفون: Colin M. Van Oort (10509475), Jonathon B. Ferrell (6420767), Jacob M. Remington (10430672), Safwan Wshah (10509478), Jianing Li (359834)

مصطلحات موضوعية: Genetics, Biotechnology, Immunology, Infectious Diseases, Plant Biology, Space Science, Biological Sciences not elsewhere classified, bidirectional component, AMP-based treatments, map data samples, AMP design, health problem, design approaches, design AMPs, show promise, AMPGAN v 2, controls generation, data-driven priors, Antimicrobial Peptides Antibiotic r., candidate peptides, aids iterative manipulation, Antimicrobial peptides, AMP design tool, proof-of-concept evidence, generative approach, 35 000 deaths, conditioning variables, U.S, 35 000, generator-discriminator dynamics

Relation: https://figshare.com/articles/journal_contribution/AMPGAN_v2_Machine_Learning-Guided_Design_of_Antimicrobial_Peptides/14351929

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01441.s001

المؤلفون: Jacob M Remington, Kyle T McKay, Noah B Beckage, Jonathon B Ferrell, Severin T. Schneebeli, Jianing Li

المصدر: Journal of Computer-Aided Molecular Design. 37:147-156

مصطلحات موضوعية: Drug Discovery, Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e3344fa0dca22ee0da193bf5c3cc3b1b
https://doi.org/10.1007/s10822-023-00497-2

المؤلفون: Tuan Trinh, Ian Andrew Paul Thompson, Finley Clark, Jacob M. Remington, Michael Eisenstein, Jianing Li, Hyongsok Tom Soh

المصدر: ACS Nano. 16:14549-14557

مصطلحات موضوعية: Oligonucleotides, General Engineering, DNA, Single-Stranded, General Physics and Astronomy, General Materials Science, DNA, Azo Compounds

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3c21e5542243b7afc8cd6aaadddee38
https://doi.org/10.1021/acsnano.2c05010

المؤلفون: Muhammad Ghufran Rafique, Jacob M. Remington, Finley Clark, Haochen Bai, Violeta Toader, Dmytro F. Perepichka, Jianing Li, Hanadi F. Sleiman

المصدر: Angewandte Chemie International Edition.

مصطلحات موضوعية: General Medicine, General Chemistry, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00799183cdb080dba1ef82c1f98b277a
https://doi.org/10.1002/anie.202217814

المؤلفون: Nicholas B. Hamilton, Jacob M. Remington, Severin T. Schneebeli, Jianing Li

المصدر: Journal of Chemical Education. 99:639-645

مصطلحات موضوعية: General Chemistry, Education

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::77f7958efdc3255e77df71c247e3be38
https://doi.org/10.1021/acs.jchemed.1c00691

المؤلفون: Jacob M. Remington, Violeta Toader, Hanadi F. Sleiman, Jianing Li, Xin Luo, Michael D. Dore, Tuan Trinh, Marlo L. Zorman, Donatien de Rochambeau, Pengfei Xu, Casey M. Platnich, Gonzalo Cosa

المصدر: Chem. 7:2395-2414

مصطلحات موضوعية: chemistry.chemical_classification, General Chemical Engineering, Biochemistry (medical), Supramolecular chemistry, Sequence (biology), 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Biochemistry, 0104 chemical sciences, Supramolecular polymers, chemistry.chemical_compound, chemistry, Polymerization, DNA nanotechnology, Materials Chemistry, Biophysics, Environmental Chemistry, Fiber, Self-assembly, 0210 nano-technology, DNA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::15b0dfaac551ec4555f6467b40994b01
https://doi.org/10.1016/j.chempr.2021.05.022

المؤلفون: Stefan T. Arold, Jacob M. Remington, Jianing Li, Xiaochuan Zhao, Severin T. Schneebeli

المصدر: J Phys Chem Lett

مصطلحات موضوعية: Salmonella typhimurium, Salinity, Strain (chemistry), Chemistry, Temperature, DNA, Molecular Dynamics Simulation, Structuring, Multiscale modeling, Article, DNA-Binding Proteins, Bacterial protein, Protein filament, chemistry.chemical_compound, Bacterial Proteins, Protein Domains, Biophysics, Nucleoid, General Materials Science, Amino Acid Sequence, Protein Multimerization, Physical and Theoretical Chemistry, Gene, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2abc97cfac4d276aad435a95f061fbf7
https://doi.org/10.1021/acs.jpclett.1c01710

المؤلفون: Jonathon B. Ferrell, Matthew J. Wargo, Robert J. Hondal, Jacob M. Remington, Severin T. Schneebeli, Chenyi Liao, Mona Sharafi, Emma J. Ste.Marie, Jianing Li

المصدر: J Phys Chem Lett

مصطلحات موضوعية: Pore Forming Cytotoxic Proteins, Protein Conformation, Antimicrobial peptides, Apoptosis, Peptide, Computational biology, 01 natural sciences, Article, Protein Aggregates, 03 medical and health sciences, Anti-Infective Agents, Escherichia coli, Multiple time, General Materials Science, Amino Acid Sequence, Physical and Theoretical Chemistry, 030304 developmental biology, chemistry.chemical_classification, 0303 health sciences, 010405 organic chemistry, food and beverages, Drug Synergism, 0104 chemical sciences, Bacterial Outer Membrane, Membrane, chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cc67b8ecfb24d6ec14b0fb02338f817
https://doi.org/10.1021/acs.jpclett.0c02094

المؤلفون: Tuan Trinh, Ian A. P. Thompson, Finley Clark, Jacob M. Remington, Michael Eisenstein, Jianing Li, H. Tom Soh

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::11e3649ccbd0ea7151c8f9e346462327
https://doi.org/10.1101/2022.05.22.492975

المؤلفون: Jacob M. Remington, Jonathon B. Ferrell, Severin T. Schneebeli, Jianing Li

المصدر: J Chem Theory Comput

مصطلحات موضوعية: Protein Conformation, alpha-Helical, Cell Membrane, Lipid Bilayers, Biophysics, Physical and Theoretical Chemistry, Molecular Dynamics Simulation, Magainins, Article, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e4c31788f61b9ac6fa0c3a41e62d403
https://europepmc.org/articles/PMC9281202/

المؤلفون: Kyle McKay, Nicholas B. Hamilton, Jacob M. Remington, Severin T. Schneebeli, Jianing Li

مصطلحات موضوعية: Biochemistry, Molecular Biology, Structural Biology, Enzymes, Protein Trafficking, Proteomics and Intermolecular Interactions (excl. Medical Proteomics), Receptors and Membrane Biology, Signal Transduction, Structural Biology (incl. Macromolecular Modelling), Synthetic Biology, computer aided drug design, PAC1 receptor, antagonist, virtual screening, molecular dynamics, principal component analysis

Relation: https://figshare.com/articles/dataset/DataSheet1_Essential_Dynamics_Ensemble_Docking_for_Structure-Based_GPCR_Drug_Discovery_PDF/20174852

الاتاحة: https://doi.org/10.3389/fmolb.2022.879212.s001
https://figshare.com/articles/dataset/DataSheet1_Essential_Dynamics_Ensemble_Docking_for_Structure-Based_GPCR_Drug_Discovery_PDF/20174852

المؤلفون: Jacob M. Remington, Jonathon B. Ferrell, Jianing Li, Colin M. Van Oort, Safwan Wshah

المصدر: J Chem Inf Model

مصطلحات موضوعية: Pore Forming Cytotoxic Proteins, Computer science, General Chemical Engineering, Antimicrobial peptides, Library and Information Sciences, Machine learning, computer.software_genre, 01 natural sciences, Article, Data-driven, Machine Learning, Component (UML), 0103 physical sciences, 010304 chemical physics, business.industry, Design tool, General Chemistry, Experimental validation, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Artificial intelligence, business, Peptides, Generative adversarial network, Encoder, computer, Generator (mathematics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02336a79880a08e75833fffaee322b32
https://europepmc.org/articles/PMC8281497/

المؤلفون: Xiaochuan Zhao, Franceline Huser, Stefan T. Arold, Chenyi Liao, Anand Radhakrishnan, Łukasz Jaremko, Jacob M. Remington, Vladlena Kharchenko, Umar F. Shahul Hameed, Jianing Li, Mariusz Jaremko

المصدر: eLife, Vol 10 (2021)
eLife

مصطلحات موضوعية: QH301-705.5, Systems biology, Science, Chemical biology, Regulator, Adaptation, Biological, Computational biology, Biology, Environment, erwinia amylovora, General Biochemistry, Genetics and Molecular Biology, Bacterial Proteins, Biochemistry and Chemical Biology, Gene expression, evolution, idiomarina loiheinsis, Biology (General), General Immunology and Microbiology, Mechanism (biology), General Neuroscience, E. coli, buchnera aphidicola, General Medicine, Exaptation, environment-sensing, biology.organism_classification, DNA-Binding Proteins, Medicine, Other, salmonella typhimurium, Bacteria, Adaptive evolution, Research Article, Computational and Systems Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b768381396417b48b53857ed7ea6fc67
https://elifesciences.org/articles/57467

المؤلفون: Vladlena Kharchenko, Xiaochuan Zhao, Mariusz Jaremko, Umar F. Shahul Hameed, Łukasz Jaremko, Franceline Huser, Anand Radhakrishnan, Jacob M. Remington, Jianing Li, Chenyi Liao, Stefan T. Arold

مصطلحات موضوعية: Basis (linear algebra), Computer science, Biological system, Adaptive evolution

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::62a76accdcd6b5e811240e55c12c3d49
https://doi.org/10.7554/elife.57467.sa2

المؤلفون: Jacob M. Remington, Jonathon B. Ferrell, Severin T. Schneebeli, Kyle T. McKay, Jianing Li

المصدر: Biophysical Journal

مصطلحات موضوعية: Viral Entry, Markov State Models, Chemistry, SARS-CoV-2, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), Protein dynamics, Molecular Simulation, and Virtual Screening, Biophysics, Spike Protein, COVID-19, Virus Internalization, Cleavage (embryo), Small molecule, Article, Molecular dynamics, Protein Dynamics, Viral entry, Spike Glycoprotein, Coronavirus, Humans, Peptides, Fusion peptide

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::32803ed4eea195c73b2e05ff2a351462
https://pubmed.ncbi.nlm.nih.gov/34087207

المؤلفون: Van Oort Cm, Reem Aboushousha, Safwan Wshah, Yvonne M. W. Janssen-Heininger, Mona Sharafi, Jacob M. Remington, Matthew J. Wargo, Severin T. Schneebeli, Jonathon B. Ferrell, Jianing Li

مصطلحات موضوعية: chemistry.chemical_classification, Generative model, Molecular model, chemistry, Antimicrobial peptides, High activity, Peptide, Membrane binding, Computational biology, Antibacterial activity, Antimicrobial

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::19315233a12038f275565c04c09ef5fa
https://doi.org/10.1101/2020.10.02.324087