| Structural survey of zinc-containing proteins and development of the zinc AMBER force field (ZAFF) MB Peters, Y Yang, B Wang, L Fusti-Molnar, MN Weaver, KM Merz Jr Journal of chemical theory and computation 6 (9), 2935-2947, 2010 | 477 | 2010 |
| The role of quantum mechanics in structure-based drug design K Raha, MB Peters, B Wang, N Yu, AM Wollacott, LM Westerhoff, ... Drug discovery today 12 (17-18), 725-731, 2007 | 318 | 2007 |
| Quantum mechanics in structure-based drug design. MB Peters, K Raha, KM Merz Jr Current opinion in drug discovery & development 9 (3), 370-379, 2006 | 106 | 2006 |
| A Modular Synthesis of Teraryl‐Based α‐Helix Mimetics, Part 1: Synthesis of Core Fragments with Two Electronically Differentiated Leaving Groups M Peters, M Trobe, H Tan, R Kleineweischede, R Breinbauer Chemistry–A European Journal 19 (7), 2442-2449, 2013 | 57 | 2013 |
| Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein− ligand interaction K Raha, AJ van der Vaart, KE Riley, MB Peters, LM Westerhoff, H Kim, ... Journal of the American Chemical Society 127 (18), 6583-6594, 2005 | 52 | 2005 |
| Overview of membrane processes for the recovery of polyphenols from olive mill wastewater OA Mudimu, M Peters, F Brauner, G Braun American Journal of Environmental Sciences 8 (3), 195, 2012 | 48 | 2012 |
| Semiempirical comparative binding energy analysis (SE-COMBINE) of a series of trypsin inhibitors MB Peters, KM Merz Journal of Chemical Theory and Computation 2 (2), 383-399, 2006 | 38 | 2006 |
| DNA triplexes: a study of their hydrogen bonds M Peters, I Rozas, I Alkorta, J Elguero The Journal of Physical Chemistry B 107 (1), 323-330, 2003 | 37 | 2003 |
| Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds DK Nevin, MB Peters, G Carta, D Fayne, DG Lloyd Journal of medicinal chemistry 55 (11), 4978-4989, 2012 | 35 | 2012 |
| Füsti-Molnár, L. Weaver, MN & Merz, KM Jr.(2010) MB Peters, Y Yang, B Wang Structural survey of zinc-containing proteins and development of the zinc …, 2010 | 31* | 2010 |
| A Modular Synthesis of Teraryl‐Based α‐Helix Mimetics, Part 2: Synthesis of 5‐Pyridine Boronic Acid Pinacol Ester Building Blocks with Amino Acid Side Chains in 3‐Position M Peters, M Trobe, R Breinbauer Chemistry–A European Journal 19 (7), 2450-2456, 2013 | 28 | 2013 |
| A simple synthesis of functionalized 3-methyl-1-pyridinyl-1H-imidazolium salts as bidentate N-heterocyclic-carbene precursors and their application in Ir-catalyzed arene borylation M Peters, R Breinbauer Tetrahedron letters 51 (50), 6622-6625, 2010 | 27 | 2010 |
| Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design PB McKay, MB Peters, G Carta, CT Flood, E Dempsey, A Bell, C Berry, ... Bioorganic & medicinal chemistry letters 21 (11), 3335-3341, 2011 | 22 | 2011 |
| The Witkop–Winterfeldt oxidation converts tetrahydropyridoindoles into pyrroloquinolones and cinnolines by an unprecedented scaffold rearrangement M Mentel, M Peters, J Albering, R Breinbauer Tetrahedron 67 (5), 965-970, 2011 | 21 | 2011 |
| Quantum mechanical pairwise decomposition analysis of protein kinase B inhibitors: validating a new tool for guiding drug design X Zhang, AC Gibbs, CH Reynolds, MB Peters, LM Westerhoff Journal of chemical information and modeling 50 (4), 651-661, 2010 | 21 | 2010 |
| Diversity-Oriented Synthesis of a Library of Star-Shaped 2H-Imidazolines X Yu, N Guttenberger, E Fuchs, M Peters, H Weber, R Breinbauer ACS Combinatorial Science 17 (11), 682-690, 2015 | 19 | 2015 |
| MNDO Parameters for the Prediction of 19F NMR Chemical Shifts in Biologically Relevant Compounds DE Williams, MB Peters, B Wang, KM Merz Jr The Journal of Physical Chemistry A 112 (37), 8829-8838, 2008 | 17 | 2008 |
| The Development of a Modular Synthesis of Teraryl-Based α-Helix Mimetics as Potential Inhibitors of Protein–Protein Interactions M Trobe, M Peters, SH Grimm, R Breinbauer Synlett 25 (09), 1202-1214, 2014 | 13 | 2014 |
| Further validation of the psychological injury risk indicator scale PC Winwood, R Peters, M Peters, M Dollard Journal of Occupational and Environmental Medicine 54 (4), 478-484, 2012 | 12 | 2012 |
| AM1 Parameters for the Prediction of 1H and 13C NMR Chemical Shifts in Proteins DE Williams, MB Peters, B Wang, AE Roitberg, KM Merz Jr The Journal of Physical Chemistry A 113 (43), 11550-11559, 2009 | 11 | 2009 |
Giorgio CartaSenior Researcher, Bioinformatics, NIBRTVerified email at nibrt.ie
