Publications

(2006- present)

• Abhinav Dubey, Annapoorni Rangarajan, Debnath Pal and Hanudatta Sastry Atreya. Chemical Shifts to Metabolic Pathways: Identifying Metabolic Pathways Directly from a Single 2D NMR Spectrum. Analytical Chemistry, XX, In press. Link
• Rajdeep Das, Monita Muralidharan, Gopa Mitra, Vijay Bhat, Boby Mathew, Debnath Pal Cecil Ross and Amit Mandal. Mass spectrometry based characterization of Hb Beckman variant in a falsely elevated HbA1c sample. Analytical Biochemistry, 489,53-58 (2015). Link
• Abhinav Dubey, Annapoorni Rangarajan, Debnath Pal and Hanudatta Sastry Atreya. A pattern recognition based approach for identifying metabolites in NMR based metabolomics. Analytical Chemistry, 87,7148-7155 (2015). Link
• Sreetama Das, Suryanarayanrao Ramakumar and Debnath Pal. Identifying functionally important cis-peptide containing segments in proteins and their utility in molecular function annotation. FEBS Journal, 281,5602-5621 (2014). Link
• Arnab Roy, Umesh Varshney and Debnath Pal. Avoiding acidic region streaking in two-dimensional gel electrophoresis: case study with two bacterial whole cell protein extracts. Journal of Biosciences, 39,631-642 (2014). Link
• Pratiti Bhadra and Debnath Pal. De novo inference of protein function from coarse-grained dynamics. Proteins: Structure, Function and Bioinformatics, 82,2443-2454 (2014). Link
• Durga Datta Kandel, Chandan Raychaudhury and Debnath Pal. Two New Atom Centered Fragment Descriptors and Scoring Function Enhance Classification of Antibacterial Activity. Journal of Molecular Modeling. 20,2164 (2014). Link
• Chandan Raychaudhury, Durga Datta Kandel and Debnath Pal. Role of Vertex Index in Substructure Identification and Activity Prediction: A Study on Antitubercular Activity of a Series of Acid Alkyl Ester Derivatives. Croatica Chimica Acta. 87,87, 39-47 (2014) (Invited article on the occasion of 70th birthday of Prof. Douglas J. Klein) Link
• Chandan Raychaudhury and Debnath Pal. Information content of molecular graph and prediction of gas phase thermal entropy of organic compounds. Journal of Mathematical Chemistry. 51,2718-2730 (2013). Link
• Chandan Raychaudhury and Debnath Pal. Use of vertex index in structure-activity analysis and design of molecules. Current Computer Aided Drug Design,8,128-134(2012)
• Pralay Mitra and Debnath Pal.PRUNE and PROBE - two modular web services for protein-protein docking. Nucleic Acids Research (Webserver Issue, 2011) [PRUNE  &  PROBE ]
• Pralay Mitra and Debnath Pal. Combining Bayes classification and point group symmetry under Boolean framework for enhanced protein quaternary structure inference, Structure 19, 304-312 (2011). [IPAC server]
• Anirban Mitra, Anil K. Kesarwani, Debnath Pal and Valakunja Nagaraja. WebGeSTer DB - a transcription terminator database. Nucleic Acids Research 39, D129-D135 (Database Issue, 2011). PDF     [WebGeSTeR server]
• Pralay Mitra and Debnath Pal. Using correlated parameters for improved ranking of protein-protein docking decoys. Journal of Computational Chemistry 32, 787-796 (2011). PDF
• Pralay Mitra and Debnath Pal. dockYard - a repository to assist modeling of protein-protein docking. Journal of Molecular Modeling 17,599-606 (2011).     [dockyard server]
• Pralay Mitra and Debnath Pal. New measures for estimating surface complementarity and packing at protein-protein interfaces. FEBS Letters 584,1163-1168 (2010). Link
• Pralay Mitra, Riddhiman Dhar and Debnath Pal. Interface of apoptotic protein complexes has distinct properties. In Silico Biol. 9,365-378 (2009). Link or PDF
• Arturo Medrano-Soto, Debnath Pal and David Eisenberg. Inferring molecular function: contributions from functional linkages. Trends in Genetics 24,587-590 (2008). Link
• K. Manikandan, Debnath Pal, S. Ramakumar, Nathan E Brener, Seetharama Iyenger and Guna Seetharaman. Functionally important segments in proteins dissected using Gene Ontology and geometric clustering of peptide fragments. Genome Biology 9,R52(2008). PDF& Cover Page
• Pankaj Tripathy, Debnath Pal and Kalappa Muniyappa. The Saccharomyces cerevisiae Hop1 protein zinc finger motif binds to the Holliday junction and distorts the DNA structure: implications for Holliday junction migration. Biochemistry 46,12530-12542 (2007). Link
• Sul-Min Kim, Peter M. Bowers, Debnath Pal , Michael Strong, Thomas C. Terwilliger, Markus Kaufmann and David Eisenberg. Functional Linkages can Reveal Protein Complexes for Structure Determination. Structure 15, 1079-1089 (2007). Link
• Debnath Pal. On Gene Ontology and Function Annotation.Bioinformation 1, 97-98 (2006). PDF