N. Sukumar
Title
Cited by
Cited by
Year
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
1882002
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
912001
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
652006
Transferable atom equivalent multicentered multipole expansion method
CE Whitehead, CM Breneman, N Sukumar, MD Ryan
Journal of computational chemistry 24 (4), 512-529, 2003
612003
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 (2-4), 231-240, 2003
612003
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
542002
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
491988
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
442003
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
432011
Reciprocal carbonyl–carbonyl interactions in small molecules and proteins
BKS Abdur Rahim, Pinaki Saha, Kunal Kumar, N. Sukumar
Nature Communications 8, 78, 2017
38*2017
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
381992
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
342004
Adsorption of on A theoretical study
C Shu, N Sukumar, CP Ursenbach
The Journal of chemical physics 110 (21), 10539-10544, 1999
331999
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
302013
A matter of density: exploring the electron density concept in the chemical, biological, and materials sciences
N Sukumar
John Wiley & Sons, 2012
252012
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
232012
Bio-and Chem-Informatics: where do the twain meet
N Sukumar, M Krein, CM Breneman
Curr Opin Drug Discov Dev 11, 311-319, 2008
222008
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
212011
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
212007
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
192016
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