Sukumar Nagamani - Research Publications - Shiv Nadar University Research Profile

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57 Publications

37 Journals

Sukumar Nagamani

Professor

Chemistry

[email protected] (Work)

Publications - 57

Publications (57)

Publications (57)

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Articles
MQSPR modeling in materials informatics: A way to shorten design cycles?
Sukumar Nagamani
, Krein M., ..., Breneman C. (4 authors)
2012
PDFPostprint
Book
A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences
Sukumar Nagamani
2012 | John Wiley and Sons
Other
Preface
Sukumar Nagamani
and
Simanti Bandyopadhyay
2012 | John Wiley and Sons
Articles
Current trends in virtual high throughput screening using ligand-based and structure-based methods
Sukumar Nagamani
and S. Das
2011
PDFPostprint
Book Chapter
Molecular Descriptors for Biological Systems
Sukumar Nagamani
, S. Das, ..., C.M. Breneman (8 authors)
2011 | John Wiley and Sons
Articles
Exploration of the topology of chemical spaces with network measures
M.P. Krein and
Sukumar Nagamani
2011
PDFPreprint
Articles
The chemist's concept of molecular structure
Sukumar Nagamani
2009
PDFPostprint
Articles
Computational prediction of antibody binding sites on tetracycline antibiotics: Electrostatic potentials and average local ionization energies on molecular surfaces
P. Kulshrestha,
Sukumar Nagamani
, ..., T.D. Wood (5 authors)
2009
Other
Erratum: Computational Prediction of Antibody Binding Sites on Tetracycline Antibiotics: Electrostatic Potentials and Average Local Ionization Energies on Molecular Surfaces
P. Kulshrestha,
Sukumar Nagamani
, ..., T.D. Wood (5 authors)
2009
PDFPreprint
Reviews
Bioinformatics and cheminformatics: Where do the twain meet?
Sukumar Nagamani
, M. Krein and C.M. Breneman
2008
Conferences
Data fusion and auto-fusion for Quantitative Structure-Activity Relationship (QSAR)
H. Changjian, M.J. Embrechts,
Sukumar Nagamani
and C.M. Breneman
2007
Book Chapter
QTAIM in Drug Discovery and Protein Modeling
Sukumar Nagamani
and C.M. Breneman
2007 | Wiley-VCH Verlag GmbH & Co. KGaA
Reviews
Wavelets in chemistry and cheminformatics
C.M. Sundling,
Sukumar Nagamani
, ..., C.M. Breneman (5 authors)
2006 | Wiley-VCH Verlag
Conferences
Chemometric analysis of ligand receptor Complementarity: Identifying Complementary Ligands Based on Receptor Information (CoLiBRI)
S. Oloff, S. Zhang,
Sukumar Nagamani
, ..., A. Tropsha (5 authors)
2006
PDFPreprint
Articles
Three-dimensional quantitative structure-activity relationship analyses of piperidine-based CCR5 receptor antagonists
M. Song, C.M. Breneman and
Sukumar Nagamani
2004 | Elsevier Ltd
Articles
Transferable atom equivalent multicentered multipole expansion method
C.E. Whitehead, C.M. Breneman,
Sukumar Nagamani
and M.D. Ryan
2003
Articles
New developments in PEST shape/property hybrid descriptors
C.M. Breneman, C.M. Sundling,
Sukumar Nagamani
, ..., M.J. Embrechts (6 authors)
2003
Articles
Prediction of the effect of mobile-phase salt type on protein retention and selectivity in anion exchange systems
N. Tugcu, M. Song, ...,
Sukumar Nagamani
, ..., S.M. Cramer (6 authors)
2003 | American Chemical Society
Articles
High-throughput screening and quantitative structure-efficacy relationship models of potential displacer molecules for ion-exchange systems
C.B. Mazza, K. Rege, ...,
Sukumar Nagamani
, ..., S.M. Cramer (6 authors)
2002
Articles
Prediction of protein retention times in anion-exchange chromatography systems using support vector regression
M. Song, C.M. Breneman, ...,
Sukumar Nagamani
, ..., N. Tugcu (7 authors)
2002

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