Ferguson, Andrew - University of Chicago - Pritzker School of Molecular Engineering

个人简介

Education Ragon Postdoctoral Fellow, MIT, 2010-12 (Arup Chakraborty) PhD, Princeton, 2005-10 (Thanos Panagiotopoulos, Pablo Debenedetti, Yannis Kevrekidis) MEng, Imperial College London, 2001-05 Selected Honors and Awards Dreyfus Foundation Machine Learning in the Chemical Sciences and Engineering Award (2020) IChemE Junior Moulton Medal (2018/19) UIUC College of Engineering Dean’s Award for Excellence in Research (2017) AIChE CoMSEF Young Investigator Award for Modeling & Simulation (2016) ACS COMP OpenEye Outstanding Junior Faculty Award (2015) National Center for Supercomputing Applications Faculty Fellow (2015-16) ACS PRF Doctoral New Investigator Award (2014) NSF CAREER Award (2014) IChemE North America Young Chemical Engineer of the Year (2013)

研究领域

The Ferguson Lab employs molecular simulation, machine learning, and statistical thermodynamics to understand and engineer molecules and soft materials.

近期论文

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B. Sharma, Y. Ma, A.L. Ferguson, and A.P. Liu “Facile formation of giant elastin-like polypeptide vesicles as synthetic cells” ChemRxiv Preprint [ https://doi.org/10.26434/chemrxiv.13718194.v1 ] W. Alvarado, J. Moller, A.L. Ferguson*, and J.J. de Pablo “Tetranucleosome interactions drive chromatin folding” (submitted, 2020) Y. Ma, J. Aulicino, and A.L. Ferguson* “Inverse design of self-assembling diamond photonic lattices from anisotropic colloidal clusters” (submitted, 2020) S. Chen, C.W. Peterson, J.A. Parker, S.A. Rice, A.L. Ferguson*, and N.F. Scherer “Data-driven reaction coordinate discovery in overdamped and non-conservative systems: Application to optical matter structural isomerization” (submitted, 2020) C.H. Fry, B. Peters, and A.L. Ferguson “Pushing and pulling: A dual pH triggered heme peptide assembly” (in press, 2020) [ https://dx.doi.org/10.1021/acs.jpcb.0c07713 ] A.L. Ferguson* and R. Ranganathan “100th Anniversary of Macromolecular Science Viewpoint: Data-driven protein design” ACS Macro. Lett. (in press, 2020) [ https://dx.doi.org/10.1021/acsmacrolett.0c00885 ] Y. Yang; H. Ying, Z. Li, J. Wang, A.L. Ferguson, Y. Zhang, and J. Cheng “Near quantitative synthesis of urea macrocycles enabled by bulky N-substituent” Nat. Commun. (in press, 2020) Y. Xia, Z. Song, T. Xue, S. Wei, L. Zhu, Z. Tan, Y. Yang, H. Fu, Y. Jiang, Y. Lin, Y. Lu, A.L. Ferguson*, and J. Cheng “Accelerated polymerization of N-carboxyanhydrides catalyzed by crown ether” Nat. Commun. (in press, 2020) E.Y. Lee, L.C. Chan, H. Wang, J. Lieng, M. Hung, Y. Srinivasan, J. Wang, J. Waschek, A.L. Ferguson, K.-F. Lee, N.Y. Yount, M.R. Yeaman, and G.C.L. Wong “Mood-modulating neuropeptide PACAP is potently induced during infection” Proc. Natl. Acad. Sci. USA 118 1 e1917623117 (2020) [ https://doi.org/10.1073/pnas.1917623117 ] A.L. Ferguson* “Editorial: The Journal of Physical Chemistry A/B/C Virtual Special Issue on Machine Learning in Physical Chemistry” J. Phys. Chem B 124 9767−9772 (2020) [ https://dx.doi.org/10.1021/acs.jpcb.0c09206 ] B. Sharma, Y. Ma, A.L. Ferguson*, and A.P. Liu “In search of a novel chassis material for synthetic cells: Emergence of synthetic peptide compartment” Soft Matter 16 10769 (2020) [ https://dx.doi.org/10.1039/D0SM01644F ] M. Topel and A.L. Ferguson* “Reconstruction of protein structures from single molecule time series” J. Chem. Phys. 153 194102 (2020) [ https://doi.org/10.1063/5.0024732 ] H. Sidky, W. Chen, and A.L. Ferguson* “Molecular latent space simulators” Chem. Sci. 11 9459 (2020) [ http://dx.doi.org/10.1039/D0SC03635H ] M. Zhao, J. Sampath, S. Alamdari, G. Shen, C.-L. Chen, C.J. Mundy, J. Pfaendtner, and A.L. Ferguson* “MARTINI-compatible coarse-grained model for the mesoscale simulation of peptoids” J. Phys. Chem. B 124 36 7745–7764 (2020) [ http://dx.doi.org/10.1021/acs.jpcb.0c04567 ] P. Gkeka, G. Stoltz, A. Barati Farimani, Z. Belkacemi, M. Ceriotti, J. Chodera, A. Dinner, A.L. Ferguson, J.-B. Maillet, H. Minoux, C. Peter, F. Pietrucci, A. Silveira, A. Tkatchenko, Z. Trstanova, R. Wiewiora, and T. Lelievre “Machine learning force fields and coarse-grained variables in molecular dynamics: Application to materials and biological systems” J. Chem. Theory Comput. 16 8 4757–4775(2020) [ https://doi.org/10.1021/acs.jctc.0c00355 ] S. Panda, K. Shmilovich, A.L. Ferguson, and J.D. Tovar “Computationally guided tuning of amino acid configuration influences the chiroptical properties of supramolecular peptide-π-peptide nanostructures” Langmuir 36 24 6782–6792 (2020) [ https://dx.doi.org/10.1021/acs.langmuir.0c00961 ] B.L. Peters, J. Deng, and A.L. Ferguson* “Free-energy calculations of the functional selectivity of 5-HT2B G protein coupled receptor” PLoS ONE 15 12 e0243313 (2020) [ https://doi.org/10.1371/journal.pone.0243313 ] E. Jira, K. Shmilovich, T. Kale, A.L. Ferguson, J.D. Tovar, and C. Schroeder “Effect of core oligomer length on the phase behavior and assembly of π-conjugated peptides” ACS Appl. Mater. Interfaces 12 20722-20732 (2020) [ https://dx.doi.org/10.1021/acsami.0c02095 ] K. Shmilovich, R.A. Mansbach, H. Sidky, O.E. Dunne, S.S. Panda, J.D. Tovar, and A.L. Ferguson* “Discovery of self-assembling π-conjugated peptides by active learning-directed coarse-grained molecular simulation” J. Phys. Chem. B 124 3873-3891 (2020) [ https://doi.org/10.1021/acs.jpcb.0c00708 ] M.R. Shirts and A.L. Ferguson* “Statistically optimal continuous potentials of mean force from umbrella sampling and multistate reweighting” J. Chem. Theory Comput. 16 7 4107–4125 (2020) [ https://dx.doi.org/10.1021/acs.jctc.0c00077 ] H. Sidky, W. Chen, and A.L. Ferguson* “Machine learning for collective variable discovery and enhanced sampling in biomolecular simulation” Molecular Physics 118 5 e1737742 (2020) [ https://doi.org/10.1080/00268976.2020.1737742 ]