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List of works by Nagamani Sukumar

Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

scientific article published on March 2006

Computational prediction of antibody binding sites on tetracycline antibiotics: electrostatic potentials and average local ionization energies on molecular surfaces.

scientific article published in January 2009

Current trends in virtual high throughput screening using ligand-based and structure-based methods.

scientific article published on December 2011

Exploration of the Topology of Chemical Spaces with Network Measures ⬇️

scientific article published on November 17, 2011

Graphs and networks in chemical and biological informatics: past, present and future.

scientific article published on October 2012

New developments in PEST shape/property hybrid descriptors.

scientific article published in February 2003

Prediction of protein retention in ion-exchange systems using molecular descriptors obtained from crystal structure

scientific article published in November 2001

Prediction of protein retention times in anion-exchange chromatography systems using support vector regression

scientific article published in November 2002

Prediction of the Effect of Mobile-Phase Salt Type on Protein Retention and Selectivity in Anion Exchange Systems ⬇️

scientific article published on July 15, 2003

Predictive cheminformatics in drug discovery: statistical modeling for analysis of micro-array and gene expression data.

scientific article

Three-dimensional quantitative structure-activity relationship analyses of piperidine-based CCR5 receptor antagonists.

scientific article published in January 2004

Transferable atom equivalent multicentered multipole expansion method.

scientific article published in March 2003

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