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 | 122 | 2019 |
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 | 54 | 2021 |
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 | 16 | 2020 |
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 | 13 | 2019 |
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 | 12 | 2020 |
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 | 11 | 2020 |
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 | 10 | 2021 |
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 | 2 | 2023 |
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 | 2 | 2020 |
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 | 1 | 2022 |
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 |