Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Jonathon B Ferrell"'
Autor:
Jacob M Remington, Kyle T McKay, Noah B Beckage, Jonathon B Ferrell, Severin T. Schneebeli, Jianing Li
Publikováno v:
Journal of Computer-Aided Molecular Design. 37:147-156
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3344fa0dca22ee0da193bf5c3cc3b1b
https://doi.org/10.1007/s10822-023-00497-2
https://doi.org/10.1007/s10822-023-00497-2
Publikováno v:
J Chem Theory Comput
Peptide binding to membranes is common and fundamental in biochemistry and biophysics, and critical for applications ranging from drug delivery to the treatment of bacterial infections. However, it is largely unclear, from a theoretical point of view
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e4c31788f61b9ac6fa0c3a41e62d403
https://europepmc.org/articles/PMC9281202/
https://europepmc.org/articles/PMC9281202/
Autor:
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
Publikováno v:
J Phys Chem Lett
By integrating various simulation and experimental techniques, we discovered that antimicrobial peptides (AMPs) may achieve synergy at an optimal concentration and ratio, which can be caused by aggregation of the synergistic peptides. On multiple tim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cc67b8ecfb24d6ec14b0fb02338f817
https://doi.org/10.1021/acs.jpclett.0c02094
https://doi.org/10.1021/acs.jpclett.0c02094
Autor:
Dillon R. McCarthy, Alexander Wurthmann, Jianing Li, Kyle T. McKay, Joseph P. Campbell, Ramya Srinivasan, Jonathon B. Ferrell, Severin T. Schneebeli, Xiaochuan Zhao, Magenta J. Hensinger
Publikováno v:
Journal of Chemical Education. 96:1961-1966
While virtual reality (VR) is emerging as an interactive tool for chemical education, its application and assessment for chemical education are still limited. Thus, an educational VR activity based...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b92f2cbacad3adc277d710b57e39f217
https://doi.org/10.1021/acs.jchemed.9b00036
https://doi.org/10.1021/acs.jchemed.9b00036
Autor:
Jonathon B. Ferrell, Yong-Tao Ma, Chenyi Liao, Severin T. Schneebeli, Jianing Li, Xiaochuan Zhao
Publikováno v:
Journal of Chemical Theory and Computation. 15:1514-1522
Modeling peptide assembly from monomers on large time and length scales is often intractable at the atomistic resolution. To address this challenge, we present a new approach which integrates coarse-grained (CG), mixed-resolution, and all-atom (AA) m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7dbd756dc757237e0cdcea1661540b2b
https://doi.org/10.1021/acs.jctc.8b01025
https://doi.org/10.1021/acs.jctc.8b01025
Publikováno v:
J Chem Inf Model
Antibiotic resistance is a critical public health problem. Each year ~2.8 million resistant infections lead to more than 35,000 deaths in the U.S. alone. Antimicrobial peptides (AMPs) show promise in treating resistant infections. However, applicatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02336a79880a08e75833fffaee322b32
https://europepmc.org/articles/PMC8281497/
https://europepmc.org/articles/PMC8281497/
Publikováno v:
Biophysical Journal
Large-scale conformational transitions in the spike protein S2 domain are required during host-cell infection of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus. Although conventional molecular dynamics simulations have been ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::32803ed4eea195c73b2e05ff2a351462
https://pubmed.ncbi.nlm.nih.gov/34087207
https://pubmed.ncbi.nlm.nih.gov/34087207
Autor:
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
As the emergence of bacterial resistance is outpacing the development of new antibiotics, we must find cost-effective and innovative approaches to discover new antibacterial therapeutics. Antimicrobial peptides (AMPs) represent one promising solution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19315233a12038f275565c04c09ef5fa
https://doi.org/10.1101/2020.10.02.324087
https://doi.org/10.1101/2020.10.02.324087
Autor:
Dillon R. McCarthy, Ona Ambrozaite, Jonathon B. Ferrell, Jianing Li, Mona Sharafi, Joseph P. Campbell, Severin T. Schneebeli, Sinu C. Rajappan
Publikováno v:
Angew Chem Int Ed Engl
Selective monofunctionalization of substrates with distant, yet equally-reactive functional groups is difficult to achieve, as it requires the second functional group to selectively modulate its reactivity once the first functional group has reacted.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9cdcaf37af23e81eb374daa01daed24a
https://europepmc.org/articles/PMC7719090/
https://europepmc.org/articles/PMC7719090/
Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Students
Autor:
Marlo L. Zorman, Jacob M. Remington, Adam N. Petrucci, Severin T. Schneebeli, Jianing Li, Jonathon B. Ferrell
Publikováno v:
Biophysicist (Rockv)
Recent advances in computer hardware and software, particularly the availability of machine learning libraries, allow the introduction of data-based topics such as machine learning into the Biophysical curriculum for undergraduate and/or graduate lev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d9b56ad9572bb3a6a9c71cab4831b99
https://doi.org/10.35459/tbp.2019.000140
https://doi.org/10.35459/tbp.2019.000140