| Prediction of protein retention times in anion-exchange chromatography systems using support vector regression M Song, CM Breneman, J Bi, N Sukumar, KP Bennett, S Cramer, N Tugcu Journal of chemical information and computer sciences 42 (6), 1347-1357, 2002 | 221 | 2002 |
| Prediction of protein retention in ion-exchange systems using molecular descriptors obtained from crystal structure CB Mazza, N Sukumar, CM Breneman, SM Cramer Analytical chemistry 73 (22), 5457-5461, 2001 | 119 | 2001 |
| Reciprocal carbonyl–carbonyl interactions in small molecules and proteins BKS Abdur Rahim, Pinaki Saha, Kunal Kumar, N. Sukumar Nature Communications 8, 78, 2017 | 101 | 2017 |
| Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI) S Oloff, S Zhang, N Sukumar, C Breneman, A Tropsha Journal of chemical information and modeling 46 (2), 844-851, 2006 | 80 | 2006 |
| Transferable atom equivalent multicentered multipole expansion method CE Whitehead, CM Breneman, N Sukumar, MD Ryan Journal of computational chemistry 24 (4), 512-529, 2003 | 80 | 2003 |
| New developments in PEST shape/property hybrid descriptors CM Breneman, CM Sundling, N Sukumar, L Shen, WP Katt, MJ Embrechts Journal of computer-aided molecular design 17 (2), 231-240, 2003 | 70 | 2003 |
| Prediction of polymer properties using infinite chain descriptors (ICD) and machine learning: Toward optimized dielectric polymeric materials K Wu, N Sukumar, NA Lanzillo, C Wang, R “Rampi” Ramprasad, R Ma, ... Journal of Polymer Science Part B: Polymer Physics 54 (20), 2082-2091, 2016 | 66 | 2016 |
| High‐throughput screening and quantitative structure‐efficacy relationship models of potential displacer molecules for ion‐exchange systems CB Mazza, K Rege, CM Breneman, N Sukumar, JS Dordick, SM Cramer Biotechnology and bioengineering 80 (1), 60-72, 2002 | 63 | 2002 |
| A matter of density: exploring the electron density concept in the chemical, biological, and materials sciences N Sukumar John Wiley & Sons, 2012 | 61 | 2012 |
| Prediction of the effect of mobile-phase salt type on protein retention and selectivity in anion exchange systems N Tugcu, M Song, CM Breneman, N Sukumar, KP Bennett, SM Cramer Analytical Chemistry 75 (14), 3563-3572, 2003 | 57 | 2003 |
| Computational evaluation and comparison of some nitramine properties P Politzer, N Sukumar, K Jayasuriya, S Ranganathan Journal of the American Chemical Society 110 (11), 3425-3430, 1988 | 55 | 1988 |
| Current trends in virtual high throughput screening using ligand-based and structure-based methods N Sukumar, S Das Combinatorial chemistry & high throughput screening 14 (10), 872-888, 2011 | 48 | 2011 |
| New group IV chemical motifs for improved dielectric permittivity of polyethylene G Pilania, CC Wang, K Wu, N Sukumar, C Breneman, G Sotzing, ... Journal of chemical information and modeling 53 (4), 879-886, 2013 | 45 | 2013 |
| A universal density criterion for correlating the radii and other properties of atoms and ions BM Deb, R Singh, N Sukumar Journal of Molecular Structure: THEOCHEM 259, 121-139, 1992 | 45 | 1992 |
| New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography SK Milano, Q Huang, TTT Nguyen, S Ramachandran, A Finke, I Kriksunov, ... Journal of Biological Chemistry 298 (2), 101535, 2022 | 41 | 2022 |
| Applications of genetic algorithms in QSAR/QSPR modeling N Sukumar, G Prabhu, P Saha Applications of metaheuristics in process engineering, 315-324, 2014 | 38 | 2014 |
| MQSPR modeling in materials informatics: a way to shorten design cycles? N Sukumar, M Krein, Q Luo, C Breneman Journal of Materials Science 47 (21), 7703-7715, 2012 | 37 | 2012 |
| Three-dimensional quantitative structure–activity relationship analyses of piperidine-based CCR5 receptor antagonists M Song, CM Breneman, N Sukumar Bioorganic & medicinal chemistry 12 (2), 489-499, 2004 | 35 | 2004 |
| Adsorption of O2 on TiO2(110): A theoretical study C Shu, N Sukumar, CP Ursenbach Journal of Chemical Physics 110 (21), 10539-10544, 1999 | 33 | 1999 |
| QTAIM in drug discovery and protein modeling N Sukumar, CM Breneman The Quantum Theory of Atoms in Molecules: From Solid State to DNA and Drug …, 2007 | 32 | 2007 |
Curt BrenemanDean of Science, Professor of Chemistry & Chemical Biology, Rensselaer Polytechnic InstituteVerified email at rpi.edu
