| Accurate force field development for modeling conjugated polymers KH DuBay, ML Hall, TF Hughes, C Wu, DR Reichman, RA Friesner Journal of chemical theory and computation 8 (11), 4556-4569, 2012 | 146 | 2012 |
| Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations ST Schneebeli, ML Hall, R Breslow, R Friesner Journal of the American Chemical Society 131 (11), 3965-3973, 2009 | 104 | 2009 |
| Small molecule-facilitated degradation of ANO1 protein A Bill, ML Hall, J Borawski, C Hodgson, J Jenkins, P Piechon, O Popa, ... Journal of Biological Chemistry 289 (16), 11029-11041, 2014 | 94 | 2014 |
| Relative binding free energy calculations applied to protein homology models D Cappel, ML Hall, EB Lenselink, T Beuming, J Qi, J Bradner, W Sherman Journal of chemical information and modeling 56 (12), 2388-2400, 2016 | 70 | 2016 |
| Automated Ligand- and Structure-Based Protocol for in Silico Prediction of Human Serum Albumin Binding ML Hall, WL Jorgensen, L Whitehead Journal of chemical information and modeling 53 (4), 907-922, 2013 | 60 | 2013 |
| Discovery and optimization of a selective ligand for the switch/sucrose nonfermenting-related bromodomains of polybromo protein-1 by the use of virtual screening and hydration … V Myrianthopoulos, N Gaboriaud-Kolar, C Tallant, ML Hall, S Grigoriou, ... Journal of Medicinal Chemistry 59 (19), 8787-8803, 2016 | 54 | 2016 |
| Using a two-step hydride transfer to achieve 1, 4-reduction in the catalytic hydrogenation of an acyl pyridinium cation AP Shaw, BL Ryland, MJ Franklin, JR Norton, JYC Chen, ML Hall The Journal of organic chemistry 73 (24), 9668-9674, 2008 | 40 | 2008 |
| Why do students withdraw from courses M Hall, K Smith, D Boeckman, V Ramachandra, J Jasin Proceedings of Southern Association for Institutional Research Conference …, 2003 | 29 | 2003 |
| Why students take more than four years to graduate M Hall Association for Institutional Research Forum, Seattle, WA, 1999 | 25 | 1999 |
| Localized orbital corrections for the barrier heights in density functional theory ML Hall, DA Goldfeld, AD Bochevarov, RA Friesner Journal of chemical theory and computation 5 (11), 2996-3009, 2009 | 23 | 2009 |
| RNA polymerase variants for co-transcriptional capping A Dousis, K Ravichandran, AE Rabideau, M Franklin, K Smith, ML Hall US Patent 11,485,960, 2022 | 19 | 2022 |
| Genetic variants ofGiardia duodenalis differ in their metabolism ML Hall, ND Costa, RCA Thompson, AJ Lymbery, BP Meloni, RG Wales Parasitology Research 78, 712-714, 1992 | 19 | 1992 |
| Polarized Raman spectroscopy of oligothiophene crystals to determine unit cell orientation JC Heckel, AL Weisman, ST Schneebeli, ML Hall, LJ Sherry, ... The Journal of Physical Chemistry A 116 (25), 6804-6816, 2012 | 16 | 2012 |
| Continuous localized orbital corrections to density functional theory: B3LYP-CLOC ML Hall, J Zhang, AD Bochevarov, RA Friesner Journal of chemical theory and computation 6 (12), 3647-3663, 2010 | 13 | 2010 |
| Automated protocol for large-scale modeling of gene expression data ML Hall, D Calkins, W Sherman Journal of Chemical Information and Modeling 56 (11), 2216-2224, 2016 | 7 | 2016 |
| The chemical tuning of a weak zinc binding motif for histone deacetylase using electronic effects P McCarren, ML Hall, L Whitehead Chemical Biology & Drug Design 80 (2), 203-214, 2012 | 7 | 2012 |
| Density functional theory: development and applications ML Hall Columbia University, 2012 | 2 | 2012 |
| Seed, Foster, Believe, Dream and Act. Capacity Building in Kenya by Novartis Global Discovery Chemistry, Seeding Labs, the International Activities Committee, and the Computers … L Whitehead, EO Changamu, N Dudnik, P McCarren, R Chopra, RR Fazio, ... Jobs, Collaborations, and Women Leaders in the Global Chemistry Enterprise …, 2015 | 1 | 2015 |
| PHYS 292-Localized orbital corrections for the calculation of barrier heights in density functional theory ML Hall, A Bochevarov, RA Friesner ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 237, 2009 | 1 | 2009 |
| Rna polymerase variants for co-transcriptional capping A Dousis, K Ravichandran, AE Rabideau, M Franklin, K Smith, ML Hall US Patent App. 17/816,696, 2023 | | 2023 |
