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Jonathon B. Ferrell
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Chemical exploration with virtual reality in organic teaching laboratories
JB Ferrell, JP Campbell, DR McCarthy, KT McKay, M Hensinger, ...
Journal of Chemical Education 96 (9), 1961-1966, 2019
1182019
AMPGAN v2: machine learning-guided design of antimicrobial peptides
CM Van Oort, JB Ferrell, JM Remington, S Wshah, J Li
Journal of chemical information and modeling 61 (5), 2198-2207, 2021
512021
Aggregation state of synergistic antimicrobial peptides
JM Remington, C Liao, M Sharafi, EJ Ste. Marie, JB Ferrell, RJ Hondal, ...
The journal of physical chemistry letters 11 (21), 9501-9506, 2020
162020
Selective Monofunctionalization Enabled by Reaction‐History‐Dependent Communication in Catalytic Rotaxanes
SC Rajappan, DR McCarthy, JP Campbell, JB Ferrell, M Sharafi, ...
Angewandte Chemie International Edition 59 (38), 16668-16674, 2020
122020
A generative approach toward precision antimicrobial peptide design
JB Ferrell, JM Remington, CM Van Oort, M Sharafi, R Aboushousha, ...
BioRxiv, 2020.10. 02.324087, 2020
112020
Top-down multiscale approach to simulate peptide self-assembly from monomers
X Zhao, C Liao, YT Ma, JB Ferrell, ST Schneebeli, J Li
Journal of chemical theory and computation 15 (3), 1514-1522, 2019
112019
Enhanced sampling protocol to elucidate fusion peptide opening of SARS-CoV-2 spike protein
JM Remington, KT McKay, JB Ferrell, ST Schneebeli, J Li
Biophysical Journal 120 (14), 2848-2858, 2021
92021
GPCRLigNet: rapid screening for GPCR active ligands using machine learning
JM Remington, KT McKay, NB Beckage, JB Ferrell, ST Schneebeli, J Li
Journal of computer-aided molecular design 37 (3), 147-156, 2023
22023
Machine Learning in a Molecular Modeling Course for Chemistry, Biochemistry, and Biophysics Students
JM Remington, JB Ferrell, M Zorman, A Petrucci, ST Schneebeli, J Li
The Biophysicist 1 (2), 11, 2020
22020
Concerted Rolling and Penetration of Peptides during Membrane Binding
JM Remington, JB Ferrell, ST Schneebeli, J Li
Journal of chemical theory and computation 18 (6), 3921-3929, 2022
12022
Nano-Bio Interactions between DNA Nanocages and Human Serum Albumin
DR McCarthy, JM Remington, JB Ferrell, ST Schneebeli, J Li
Journal of Chemical Theory and Computation 19 (21), 7873-7881, 2023
2023
Concerted Rolling and Membrane Penetration Revealed by Atomistic Simulations of Antimicrobial Peptides
JM Remington, JB Ferrell, J Li
arXiv preprint arXiv:2111.02465, 2021
2021
Hierarchical simulation: Two different approaches and their applications to design complex biomaterials
X Zhao, J Ferrell, C Liao, J Li
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
What are the Dynamics of DNA Nanocages? From Design to Applications in Drug Delivery
JB Ferrell, GJ Chan, ML Zorman, J Li
Biophysical Journal 116 (3), 357a, 2019
2019
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Artiklar 1–14