N. Sukumar
N. Sukumar
Amrita Vishwa Vidyapeetham
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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
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
Reciprocal carbonyl–carbonyl interactions in small molecules and proteins
BKS Abdur Rahim, Pinaki Saha, Kunal Kumar, N. Sukumar
Nature Communications 8, 78, 2017
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
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
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
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
Applications of genetic algorithms in QSAR/QSPR modeling
N Sukumar, G Prabhu, P Saha
Applications of metaheuristics in process engineering, 315-324, 2014
Adsorption of on A theoretical study
C Shu, N Sukumar, CP Ursenbach
The Journal of chemical physics 110 (21), 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
Exploration of the topology of chemical spaces with network measures
MP Krein, N Sukumar
The Journal of Physical Chemistry A 115 (45), 12905-12918, 2011
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