| 5-tert-butyl-N-pyrazol-4-yl-4, 5, 6, 7-tetrahydrobenzo [d] isoxazole-3-carboxamide derivatives as novel potent inhibitors of Mycobacterium tuberculosis pantothenate synthetase … S Velaparthi, M Brunsteiner, R Uddin, B Wan, SG Franzblau, PA Petukhov Journal of medicinal chemistry 51 (7), 1999-2002, 2008 | 142 | 2008 |
| Design, synthesis, docking, and biological evaluation of novel diazide-containing isoxazole-and pyrazole-based histone deacetylase probes R Neelarapu, DL Holzle, S Velaparthi, H Bai, M Brunsteiner, SY Blond, ... Journal of medicinal chemistry 54 (13), 4350-4364, 2011 | 118 | 2011 |
| Toward a molecular understanding of crystal agglomeration M Brunsteiner, AG Jones, F Pratola, SL Price, SJR Simons Crystal growth & design 5 (1), 3-16, 2005 | 100 | 2005 |
| Binding ensemble profiling with photoaffinity labeling (BEProFL) approach: mapping the binding poses of HDAC8 inhibitors B He, S Velaparthi, G Pieffet, C Pennington, A Mahesh, DL Holzle, ... Journal of medicinal chemistry 52 (22), 7003-7013, 2009 | 61 | 2009 |
| Morphologies of organic crystals: sensitivity of attachment energy predictions to the model intermolecular potential M Brunsteiner, SL Price Crystal Growth & Design 1 (6), 447-453, 2001 | 56 | 2001 |
| Structure and mechanism of human UDP-xylose synthase: evidence for a promoting role of sugar ring distortion in a three-step catalytic conversion of UDP-glucuronic acid T Eixelsberger, S Sykora, S Egger, M Brunsteiner, KL Kavanagh, ... Journal of biological chemistry 287 (37), 31349-31358, 2012 | 45 | 2012 |
| Conformational flexibility related to enzyme activity: evidence for a dynamic active-site gatekeeper function of Tyr215 in Aerococcus viridans lactate oxidase T Stoisser, M Brunsteiner, DK Wilson, B Nidetzky Scientific reports 6 (1), 27892, 2016 | 42 | 2016 |
| Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors IT Schiefer, S Tapadar, V Litosh, M Siklos, R Scism, GT Wijewickrama, ... Journal of medicinal chemistry 56 (15), 6054-6068, 2013 | 38 | 2013 |
| Tribo-charging behaviour of inhalable mannitol blends with salbutamol sulphate S Zellnitz, JT Pinto, M Brunsteiner, H Schröttner, J Khinast, A Paudel Pharmaceutical research 36, 1-11, 2019 | 23 | 2019 |
| Influence of the treatment of electrostatic interactions on the results of free energy calculations of dipolar systems M Brunsteiner, S Boresch The Journal of Chemical Physics 112 (16), 6953-6955, 2000 | 23 | 2000 |
| Relative contributions of solubility and mobility to the stability of amorphous solid dispersions of poorly soluble drugs: A molecular dynamics simulation study M Brunsteiner, J Khinast, A Paudel Pharmaceutics 10 (3), 101, 2018 | 22 | 2018 |
| Insights from comprehensive multiple receptor docking to HDAC8 M Brunsteiner, PA Petukhov Journal of molecular modeling 18, 3927-3939, 2012 | 22 | 2012 |
| Drug–excipient interactions in the solid state: The role of different stress factors C Gressl, M Brunsteiner, A Davis, M Landis, K Pencheva, G Scrivens, ... Molecular Pharmaceutics 14 (12), 4560-4571, 2017 | 20 | 2017 |
| Prediction of drug-packaging interactions via molecular dynamics (MD) simulations P Feenstra, M Brunsteiner, J Khinast International journal of pharmaceutics 431 (1-2), 26-32, 2012 | 18 | 2012 |
| Structure based descriptors for the estimation of colloidal interactions and protein aggregation propensities M Brunsteiner, M Flock, B Nidetzky PLoS One 8 (4), e59797, 2013 | 17 | 2013 |
| Photoreactive “nanorulers” detect a novel conformation of full length HDAC3-SMRT complex in solution H Abdelkarim, M Brunsteiner, R Neelarapu, H Bai, A Madriaga, ... ACS chemical biology 8 (11), 2538-2549, 2013 | 13 | 2013 |
| Solid-state reactivity of mechano-activated simvastatin: atypical relation to powder crystallinity D Modhave, P Laggner, M Brunsteiner, A Paudel Journal of Pharmaceutical Sciences 108 (10), 3272-3280, 2019 | 12 | 2019 |
| Forced solid-state oxidation studies of nifedipine-PVP amorphous solid dispersion I Saraf, R Roskar, D Modhave, M Brunsteiner, A Karn, D Neshchadin, ... Molecular Pharmaceutics 19 (2), 568-583, 2022 | 10 | 2022 |
| Surface structure of a complex inorganic crystal in aqueous solution from classical molecular simulation M Brunsteiner, SL Price The Journal of Physical Chemistry B 108 (33), 12537-12546, 2004 | 9 | 2004 |
| Bayesian optimization for ternary complex prediction (BOTCP) A Rao, TM Tunjic, M Brunsteiner, M Müller, H Fooladi, C Gasbarri, ... Artificial Intelligence in the Life Sciences 3, 100072, 2023 | 8 | 2023 |
