| ff19SB: amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ... Journal of chemical theory and computation 16 (1), 528-552, 2019 | 1471 | 2019 |
| Density functional theory study of mixed aldol condensation catalyzed by acidic zeolites HZSM-5 and HY AN Migues, S Vaitheeswaran, SM Auerbach The Journal of Physical Chemistry C 118 (35), 20283-20290, 2014 | 36 | 2014 |
| On the rational design of zeolite clusters AN Migues, A Muskat, SM Auerbach, W Sherman, S Vaitheeswaran ACS Catalysis 5 (5), 2859-2865, 2015 | 30 | 2015 |
| Ab initio and classical simulations of the temperature dependence of zeolite pore sizes H Shi, AN Migues, SM Auerbach Green Chemistry 16 (2), 875-884, 2014 | 25 | 2014 |
| ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution., 2020, 16 C Tian, K Kasavajhala, KAA Belfon, L Raguette, H Huang, AN Migues, ... DOI: https://doi. org/10.1021/acs. jctc. 9b00591, 528-552, 0 | 11 | |
| On the rational design of zeolite clusters for converging reaction barriers: Quantum study of aldol kinetics confined in HZSM-5 AN Migues, Q Sun, S Vaitheeswaran, W Sherman, SM Auerbach The Journal of Physical Chemistry C 122 (40), 23230-23241, 2018 | 10 | 2018 |
| Streptococcal Hyaluronate Lyase Reveals the Presence of a Structurally Significant C H⋅⋅⋅ O Hydrogen Bond KB Moore III, AN Migues, HF Schaefer III, RA Vergenz Chemistry–A European Journal 20 (4), 990-998, 2014 | 4 | 2014 |
| DFT study of the mixed aldol condensation reaction catalyzed by acidic zeolites HZSM-5 and HY AN Migues, S Vaitheeswaran, SM Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | 1 | 2014 |
| ff18SB: Amino-acid specific protein backbone parameters trained against quantum mechanics energies in solution C Tian, K Belfon, L Raguette, A Migues, Q Wu, C Simmerling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Impact of septic systems on Long Island's aquifer water quality: An Interdisciplinary study S Sambasivan, A Migues, K Gutleber, R Davan, Z Al-Masri, B Golden, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| FF18SB: Improving the accuracy of biomolecular simulation with a physics-based force field C Tian, A Migues, Q Wu, C Simmerling ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Interactive Panel 3: Mentoring LGBTQ plus chemistry students B Chan, B Belmont, R Lhota, A Migues, M Crawford ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Aldol condensation of biomass-derived feedstocks in HZSM-5 zeolite: Quantum chemistry and experiments point to keto/enol as the rate-determining step A Migues, Q Sun, S Vaitheeswaran, W Sherman, X Qi, W Fan, S Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Density functional theory study of aldol condensation reactions between acetone and biomass-derived aldehydes in delta clusters of HZSM-5 A Migues, S Vaitheeswaran, A Muskat, W Sherman, S Auerbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Quantum Calculations of Aldol Condensation in Acidic Zeolites AN Migues | | 2015 |
| The effect of methyl-donated hydrogen bonding on active site conformations of hyaluronate lyase AN Migues, RA Vergenz, KB Moore APS March Meeting Abstracts 2010, C1. 249, 2010 | | 2010 |
| Aldol Condensation of Biomass-Derived Compounds in Optimized HZSM-5 clusters Q Sun, AN Migues, SM Auerbach | | |
Scott M. AuerbachProfessor of Chemistry, University of Massachusetts AmherstVerified email at umass.edu