| The value of antimicrobial peptides in the age of resistance M Magana, M Pushpanathan, AL Santos, L Leanse, M Fernandez, ... The lancet infectious diseases 20 (9), e216-e230, 2020 | 922 | 2020 |
| Promoting transparency and reproducibility in enhanced molecular simulations Nature methods 16 (8), 670-673, 2019 | 811 | 2019 |
| Investigating the optimal size of anticancer nanomedicine L Tang, X Yang, Q Yin, K Cai, H Wang, I Chaudhury, C Yao, Q Zhou, ... Proceedings of the National Academy of Sciences 111 (43), 15344-15349, 2014 | 665 | 2014 |
| Translating HIV sequences into quantitative fitness landscapes predicts viral vulnerabilities for rational immunogen design AL Ferguson, JK Mann, S Omarjee, T Ndung’u, BD Walker, ... Immunity 38 (3), 606-617, 2013 | 260 | 2013 |
| Molecular enhanced sampling with autoencoders: On‐the‐fly collective variable discovery and accelerated free energy landscape exploration W Chen, AL Ferguson Journal of computational chemistry 39 (25), 2079-2102, 2018 | 226 | 2018 |
| Helical antimicrobial polypeptides with radial amphiphilicity M Xiong, MW Lee, RA Mansbach, Z Song, Y Bao, RM Peek Jr, C Yao, ... Proceedings of the National Academy of Sciences 112 (43), 13155-13160, 2015 | 211 | 2015 |
| Machine learning and data science in soft materials engineering AL Ferguson Journal of Physics: Condensed Matter 30 (4), 043002, 2017 | 199 | 2017 |
| Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems P Gkeka, G Stoltz, A Barati Farimani, Z Belkacemi, M Ceriotti, JD Chodera, ... Journal of chemical theory and computation 16 (8), 4757-4775, 2020 | 188 | 2020 |
| Mapping membrane activity in undiscovered peptide sequence space using machine learning EY Lee, BM Fulan, GCL Wong, AL Ferguson Proceedings of the National Academy of Sciences 113 (48), 13588-13593, 2016 | 187 | 2016 |
| Nonlinear dimensionality reduction in molecular simulation: The diffusion map approach AL Ferguson, AZ Panagiotopoulos, IG Kevrekidis, PG Debenedetti Chemical Physics Letters 509 (1), 1-11, 2011 | 180 | 2011 |
| Systematic determination of order parameters for chain dynamics using diffusion maps AL Ferguson, AZ Panagiotopoulos, PG Debenedetti, IG Kevrekidis Proceedings of the National Academy of Sciences 107 (31), 13597-13602, 2010 | 180 | 2010 |
| Solubility and Molecular Conformations of n-Alkane Chains in Water AL Ferguson, PG Debenedetti, AZ Panagiotopoulos The Journal of Physical Chemistry B 113 (18), 6405-6414, 2009 | 178 | 2009 |
| The Fitness Landscape of HIV-1 Gag: Advanced Modeling Approaches and Validation of Model Predictions by In Vitro Testing JK Mann, JP Barton, AL Ferguson, S Omarjee, BD Walker, A Chakraborty, ... PLoS computational biology 10 (8), e1003776, 2014 | 170 | 2014 |
| Nonlinear discovery of slow molecular modes using state-free reversible VAMPnets W Chen, H Sidky, AL Ferguson The Journal of chemical physics 150 (21), 2019 | 145 | 2019 |
| Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design W Chen, AR Tan, AL Ferguson The Journal of chemical physics 149 (7), 2018 | 138 | 2018 |
| What can machine learning do for antimicrobial peptides, and what can antimicrobial peptides do for machine learning? EY Lee, MW Lee, BM Fulan, AL Ferguson, GCL Wong Interface focus 7 (6), 20160153, 2017 | 137 | 2017 |
| Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation H Sidky, W Chen, AL Ferguson Molecular Physics 118 (5), e1737742, 2020 | 136 | 2020 |
| Enzyme-like click catalysis by a copper-containing single-chain nanoparticle J Chen, J Wang, Y Bai, K Li, ES Garcia, AL Ferguson, SC Zimmerman Journal of the American Chemical Society 140 (42), 13695-13702, 2018 | 126 | 2018 |
| Synthesis of polypeptides via bioinspired polymerization of in situ purified N-carboxyanhydrides Z Song, H Fu, J Wang, J Hui, T Xue, LA Pacheco, H Yan, R Baumgartner, ... Proceedings of the National Academy of Sciences 116 (22), 10658-10663, 2019 | 120 | 2019 |
| Machine learning for autonomous crystal structure identification WF Reinhart, AW Long, MP Howard, AL Ferguson, AZ Panagiotopoulos Soft Matter 13 (27), 4733-4745, 2017 | 113 | 2017 |
Kirill ShmilovichGenentechVerified email at gene.com
