N. Sukumar
N. Sukumar
Other namesSukumar Nagamani, Nagamani Sukumar
Verified email at - Homepage
Cited by
Cited by
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
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
Reciprocal carbonyl–carbonyl interactions in small molecules and proteins
BKS Abdur Rahim, Pinaki Saha, Kunal Kumar, N. Sukumar
Nature Communications 8, 78, 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
Transferable atom equivalent multicentered multipole expansion method
CE Whitehead, CM Breneman, N Sukumar, MD Ryan
Journal of computational chemistry 24 (4), 512-529, 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, 231-240, 2003
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
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
A matter of density: exploring the electron density concept in the chemical, biological, and materials sciences
N Sukumar
John Wiley & Sons, 2012
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
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
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
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
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
Applications of genetic algorithms in QSAR/QSPR modeling
N Sukumar, G Prabhu, P Saha
Applications of metaheuristics in process engineering, 315-324, 2014
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
Adsorption of O~ 2 on TiO~ 2 (110): A theoretical study
C Shu, N Sukumar, CP Ursenbach
Journal of Chemical Physics 110, 10539-10544, 1999
MQSPR modeling in materials informatics: a way to shorten design cycles?
N Sukumar, M Krein, Q Luo, C Breneman
Journal of Materials Science 47, 7703-7715, 2012
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
Electronic Origin of the Stability of Transition-Metal-Doped B14 Drum-Shaped Boron Clusters and Their Assembly into a Nanotube
P Saha, AB Rahane, V Kumar, N Sukumar
The Journal of Physical Chemistry C 121 (20), 10728-10742, 2017
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