Total Number of Publications : 154
Year 2012
- Role of invariant water molecules and water mediated ionic interactions in D-xylose isomerase from Streptomyces rubiginosus
J. BIOMOL. STRUCT. DYN. (IN PRESS). - AS3P: A fast Algorithm to Search Structurally Similar Proteins
COMMUNICATIONS IN COMPUTER AND INFORMATION SCIENCE (IN PRESS). - Homopeptide Repeats: Implications in protein structure, function and evolution
GENOMICS, PROTEOMICS AND BIOINFORMATICS (IN PRESS). - Fragment Finder 2.0: A computing server to identify structurally similar fragments
J. APPL. CRYST. (2012). 45, 332-334. - SMS-2.0: An updated database to study the structural plasticity of short peptide fragments in non-redundant proteins
GENOMICS, PROTEOMICS AND BIOINFORMATICS (2012). 10(1), 44-50.
- Transmembrane Domains
ENCYCLOPEDIA OF LIFE SCIENCES (IN PRESS). - A new pentameric structure of rotavirus NSP4 revealed by molecular replacement
ACTA CRYST. (2012). D68, 57-61. - Sequence-structure similarity: Do sequentially identical peptide fragments have similar three-dimensional structures?
CURR. BIOINFORMATICS (IN PRESS).
Year 2011
- A Novel Pentameric Structure of the Diarrhea-inducing Region of the Rotavirus Enterotoxigenic Protein NSP4
( JVI00349-11 Version 2 )
JOURNAL OF VIROLOGY (2011). 85(23), 12721-12732. - Junker: An Intergenic Explorer for Bacterial genomes
GENOMICS, PROTEOMICS AND BIOINFORMATICS (2011). 9(4-5), 179-182.
- Structural analysis of NADPH depleted bovine liver catalase and its inhibitor complexes
INT J BIOCHEM MOL BIOL (2011). 2(1), 67-77.
- Water-mediated ionic interactions in protein structures
J. BIOSCIENCES (2011). 36(2), 253-263.
- Structural Biology of M. tuberculosis Proteins: The Indian Efforts
TUBERCULOSIS RESEARCH (2011). 91(5), 456-468
- RPS: Repeats in Protein Sequences
J. APPL. CRYST. (2011). 44, 647-650. - BSSB: Blast Server for Structural Biologists
J. APPL. CRYST. (2011). 44, 651-654. - Crystal structures, dynamics and functional implications of molybdenum cofactor biosynthesis protein MogA from two thermophilic organisms
ACTA F CRYST. (2011). F67, 2-16
Year 2010
- An Algorithm to find all identical motifs in multiple biological sequences
LECTURES NOTES IN BIOINFORMATICS (2010). 6282, 137-148. - sRNAscanner: A computational tool for intergenic small RNA detection in bacterial genomes
PLoS ONE (2010). 5(8), e11970.
- Crystal structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8
ACTA CRYST. (2010). D66, 821-833.
- Evolution, homology conservation and identification of unique sequence signatures in GH19 family chitinases
J. MOL. EVOL (2010). 70(5), 466-478.
- An Algorithm to find distant repeats in a pair of protein sequences
PATTERN RECOGNITION LETTERS (2010). 31, 2161-2169. - ProSTRIP: A method to find similar structural repeats in three-dimensional protein structures
COMPUT. BIO. CHEM. (2010). 34(2), 126-130.
- Recognition of active and inactive catalytic triads: A template based approach
INT. J. BIO. MACROMOLECULES (2010). 46, 317-323.
- PsRNA: A computing engine for comparative identification of Putative Small RNA locations within the Intergenic Regions
GENOMICS, PROTEOMICS AND BIOINFORMATICS (2010). 8(2), 127-134.
- Cloning, expression, purification, crystallization and preliminary X-ray crystallographic study of the putative SAICAR synthetase (PH0239) from Pyrococcus horikoshii OT3
ACTA CRYST. (2010). F66, 180-183.
- FAIR: A server for internal sequence repeats
BIOINFORMATION (2010). 4(7), 271-275.
- Free and ATP-bound structures of Ap4A hydrolase from Aquifex aeolicus V5
ACTA CRYST. (2010). D66, 116-124.
- SSMBS: A web server to locate Sequentially Separated Motifs in Biological Sequences
J. APPL. CRYST. (2010). 43, 203-205. - MLDB: Macromolecule Ligand DataBase
J. APPL. CRYST. (2010). 43, 200-202. - MIPS: Metal Interactions in Protein Structures
J. APPL. CRYST. (2010). 43, 196-199.
Year 2009
- An Algorithm to find similar internal sequence repeats
CURR. SCIENCE (2009). 97(9), 1345-1349. - Computer-aided drug design of pyranopyrazoles and related compounds for checkpoint kinase-1
LETTERS IN DRUG DESIGN and DISCOVERY (2009). 6, 579-584. - BSDD-2.0: Biomolecules Segment Display Device - An updated web accessible computing resource
CURR. SCIENCE (2009). 97(1), 28-32. - Structure, dynamics and interactions of jacalin. Insights from molecular dynamics simulations examined in conjunction with results of X-ray studies
PROTEINS: STRUCTURE, FUNCTION, BIOINFORMATICS (2009). 77, 760-777.
- An insight to the dynamics of conserved water molecular triad in IMPDH II (Human): Recognition of cofactor and substrate to catalytic Arg 322
J. BIO. MOL. STR. and DYNAMICS (2009). 27(2), 149-158.
- CsrA interacting small RNAs in Haemophilus spp genomes: A theoretical analysis
ARCH. MICROBIO. (2009). 191, 451-459.
- Effect of disulfide bonds in antifungal peptide from Petunia hybrida: A molecular dynamics study
THE OPEN STRUCTURAL BIOLOGY JOURNAL(2009). 3, 84-93. - Influence of disulfide bonds on the conformation of the antifungal protein from Eucommia Ulmoides Oliver
THE OPEN STRUCTURAL BIOLOGY JOURNAL(2009). 3, 94-103. - CSSP (Consensus Secondary Structure Prediction): A web-based server for structural biologists
J. APPL. CRYST. (2009). 42, 336-338. - Conserved water-mediated H-bonding dynamics of catalytic Asn 175 in Plant thiol protease
J. BIOSCIENCES (2009). 34(1), 27-34.
- Large cryptic internal sequence repeats in protein structures from Homo sapiens
J. BIOSCIENCES (2009). 34(1), 103-112.
- Conserved water mediated H-bonding dynamics of inhibitor, cofactor, Asp 364 and Asn 303 in Human IMPDH II
J. BIO. MOL. STR. and DYNAMICS (2009). 26(4), 497-507.
- Structural and functional role of water molecules in bovine pancreatic phospholipase A2: A data-mining approach
ACTA CRYST. (2009). D65, 74-84.
Year 2008
- Observation of a calcium-binding site in the gamma-class carbonic anhydrase from Pyrococcus Horikoshii
ACTA CRYST. (2008). D64, 1012-1019.
- Algorithm to find distant repeats in a single protein sequence
BIOINFORMATION (2008), 3(1), 28-32.
- Structures and molecular-dynamics studies of three active site mutants of bovine pancreatic phospholipase A2
ACTA CRYST. (2008). D64, 1003-1011.
- WAP (2.0) : An updated computing and visualization server for water molecules
J. APPL. CRYST. (2008). 41, 952-954. - An Algorithm to find all identical internal sequence repeats
CURR. SCIENCE (2008). 95(2), 188-195. - A Method to find Sequentially Separated Motifs in Biological sequences (SSMBS)
LECTURES NOTES IN BIOINFORMATICS (2008). 5265, 13-27. - Role of water molucules and ion pairs in Dps and related ferritin-like structures
INT . J . BIOL. MACROMOLECULES (2008) 43(4), 333-338.
- Crystallization and preliminary crystallographic studies of L30e, a ribosomal protein from Methanocaldococcus jannaschii (MJ1044)
ACTA CRYST. (2008). F64, 102-104.
- RPMS : Ramachandran Plot for Multiple Structures
J. APPL. CRYST. (2008). 41, 219-221.
Year 2007
- Ramachandran Plot on the web 2.0
PROTEIN AND PEPTIDE LETTERS (2007). 14(7), 669-671.
- Structure and carbohydrate specificity of ß-prism I fold lectins
GLYCOBIOLOGY (2007). 150-159. - Evolutionary insights from suffix array based genome sequence analysis
J. BIOSCIENCES (2007). 32(5), 871-881.
- Conformation Angles Database (CADB-3.0)
PROTEIN AND PEPTIDE LETTERS (2007). 14(7), 665-668.
- Role of N and C- terminal tails in DNA binding and assembly in Dps: Structural studies of Mycobacterium smegmatis Dps deletion mutants
J. MOL. BIO. (2007). 370, 752-767.
- PSAP : Protein Structure Analysis Package
J. APPL. CRYST. (2007). 40, 773-777. - Ion-pairs in non-redundant protein structures
J. BIOSCIENCES (2007). 32(4), 693-704.
- Preliminary X-ray crystallographic study of glucose dehydrogenase from Thermus thermophilus HB8
ACTA CRYST. (2007). F63, 446-448.
- Structural biology of recombinant bovine pancreatic phospholipase A2 and its inhibitor complexes
K. Sekar.
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2007). 7(8), 779-785
- Cloning, expression, purification, crystallization and preliminary X-ray crystallographic study of molybdopterin synthase from Thermus thermophilus HB8
ACTA CRYST. (2007). F63, 324-326.
- Cloning, expression, purification, crystallization and preliminary X-ray crystallographic study of DHNA synthetase from Geobacillus kaustophilus
ACTA CRYST. (2007). F63, 103-105.
- BioSuite: A comprehensive bioinformatics software package (A unique industry-academia collaboration)
CURR. SCIENCE (2007). 92(1), 29-38. - Crystallization and preliminary crystallographic analysis of molybdenum cofactor biosynthesis protein C from Thermus thermophilus
ACTA CRYST. (2007). F63, 27-29.
Year 2006
- SMS: Sequence, Motif and Structure - A database on the structural rigidity of peptide fragments in non-redundant proteins
IN SILICO BIOLOGY (2006). 6(3), 229-235.
- 3dSS: 3D Structural Superposition
NUCL. ACIDS RES. (2006). 34, W128-W134.
- TVSBS: A fast exact pattern matching algorithm for biological sequences
CURR. SCIENCE (2006). 91(1), 47-53. - Suggestive evidence for the involvement of the second calcium and surface loop in interfacial binding: Monoclinic and trigonal crystal structures of a quadruple mutant of phospholipase A2
ACTA CRYST. (2006). D62, 717-724.
- Artificial life and living systems: Insight into artificial Life and its implications in life science research
BIOINFORMATION (2006). 1(4), 139-140.
- Ab initio structure determination of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 at atomic and high resolution using ACORN
CURR. SCIENCE (2006). 90(8), 1091-1099. - Third calcium ion found in an inhibitor bound phospholipase A2
ACTA CRYST. (2006). D62, 392-397.
- Interaction of water molecules in non-identical protein structures
IND. J. CHEM (2006). 45A, 159-162. - Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2
ACTA CRYST. (2006). F62, 1-5.
Year 2005
- Unusual sugar specifcity of banana lectin from Musa Paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies .
GLYCOBIOLOGY (2005). 15(10), 1025-1032.
- PSST-2.0 : Protein data bank Sequence Search Tool
APPL. BIOINFO. (2005). 4(2), 141-145.
- Analysis of string-searching algorithms on biological sequence databases
CURR. SCIENCE (2005). 89(2), 368-374. - Structure of Mycobacterium smegmatis single-stranded DNA-binding protein and a comparative study involving homologus SSBs. Biological implications of structural plasticity and variability in quaternary association.
ACTA CRYST. (2005). D61, 1140-1148.
- CADB - 2.0: Conformation Angles DataBase
ACTA CRYST. (2005). D61, 637-639.
- SSEP - 2.0: Secondary Structural Elements of Proteins
ACTA CRYST. (2005). D61, 634-636.
- Structural basis for the energetics of jacalin - sugar interactions:Promiscuity versus specificity
J. MOL. BIOL. (2005). 347(1), 181-188.
- Fragment Finder: A web-based software to identify similar three-dimensional structural motif
NUCL. ACIDS RES. (2005). 33, W85-W88.
- Atomic resolution (0.97Å) structure of the triple mutant (K53, 56, 121M) of bovine pancreatic phospholipase A2
ACTA CRYST. (2005). F61, 3-7.
Year 2004
- Purification, crystallization and Preliminary X-ray structure analysis of the banana lectin from Musa paradisiaca
ACTA CRYST. (2004). D60, 2104-2106.
- A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 Å resolution using Sulfur-SAS at 1.54 Å wavelength
ACTA CRYST. (2004). D60, 1586-1590.
- X-ray analysis of Mycobacterium smegmatis Dps and a comparative study involving other Dps like molecules
J. MOL. BIOL (2004). 339(5), 1103-1113.
- BSDD: Biomolecules Segment Display Device - A web based interactive display tool
NUCL. ACIDS RES. (2004). 32, W645-W648.
- A Fast Pattern Matching Algorithm
J. CHEM. INF. and COMP. SCIENCES (2004). 44(4), 1251-1256.
- LySDB: Lysozyme Structural Database
- THGS: A web-based database of Transmembrane Helices in Genome Sequences
NUCL. ACIDS RES. (2004). 32, D125-D128.
Year 2003
- Crystal and molecular structure of 2,6-bis(4-chlorophenyl)-3-phenylpiperidin-4-one
CRYST. RES. TECHNOL. (2003). 38(10), 918-921. - Crystallization and preliminary X-ray diffraction analysis of Mycobacterium smegmatis Dps
ACTA CRYST. (2003). D59, 2254-2256.
- Crystal structures of the free and Anisic acid bound triple mutant of phospholipase A2
J. MOL. BIOL (2003). 333(2), 367-376.
- Side-chain conformation angles of aminoacids : Effect of temperature factor cut-off
J. STRUC. BIOL. (2003). 143, 181-184.
- The crystal structure of 1,2,3,4,6-penta-O-benzoyl-α-D-mannopyranose: Observation of C-H...Π interaction as a surrogate to O-H..O interaction of a free sugar
CARBOHYDRATE RES (2003). 338, 2005-2011.
- Crystal and molecular structure of 2,6-bis(4-fluorobenzylidene) cyclohexanone
CRYST. RES. TECHNOL. (2003). 38(9), 822-828. - Structural basis of the carbohydrate specificities of jacalin: An X-ray and modeling study
J. MOL. BIOL (2003). 332(1), 217-228.
- C-halogen...Π interactions in proteins:A database Study
CRYSTAL ENGINEERING (2003). 6, 69-77. - Supramolecular structures of 2-cyano-3-dimethylamino-N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino-N-(2-methoxyphenyl)acrylamide
ACTA CRYST. (2003). C59, (0394-0396).
- Structure of mycobacterium tuberculosis single-stranded DNA-binding protein. Variablility in quaternary structure and its implications
J. MOL. BIOL (2003). 331, 385-393. - SEM (Symmetry Equivalent Molecules) - A web-based GUI to generate and visualize the macromolecules
NUCL. ACIDS RES. (2003). 31, 3356-3358.
- SSEP: Secondary Structural Elements of Proteins
NUCL. ACIDS RES. (2003). 31(13), 3404-3405.
- CAP: Conformation Angles Package - Displaying the conformation angles of side chains in proteins
BIOINFORMATICS (2003). 19(8), 1043-1044.
- 3-Acetyl-2-hydroxy-2-methylchromene
ACTA CRYST. (2003). E59, 0591-0593. - 3-Benzoyl-2-hydroxy-2-methylchromene
ACTA CRYST. (2003). E59, 0266-0268. - 1,2-Bis[1-phenylsulfonyl-3-(phenylthio)indol-2-yl]ethene
ACTA CRYST. (2003). E59, 099-0101. - 8-Chloro-4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
ACTA CRYST. (2003). E59, 049-051. - WAP: Water Analysis Package - A web-based package to calculate geometrical parameters between water oxygen and protein atoms
J. APPL. CRYST (2003). 36, 167-168. - CADB: Conformational Angles Database of proteins
NUCL. ACIDS RES. (2003). 31(1), 448-451.
Year 2002
- Observation of additional calcium ion in the crystal structure of the triple mutant of bovine pancreatic phospholipase A2
J. MOL. BIOL (2002). 324(4), 755-762.
- Ramachandran plot on the web
BIOINFORMATICS (2002). 18, 1548-1549.
- The crystal structure of the single-stranded DNA-binding protein from mycobacterium tuberculosis
ACTA CRYST. (2002). A58, C275. - Crystal structure of the jacalin - T-antigen complex and a comparative study of lectin - T-antigen complexes
J. MOL. BIOL (2002). 321, 637-645.
- Crystal and molecular structure of an Acridinedione
CRYST. RES. TECHNOL. (2002). 37(9), 1029-1037. - PDB Goodies - a web-based GUI to manipulate the Protein Data Bank file
ACTA CRYST. (2002). D58, 1385-1386.
- Crystal structures of Artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-α-D-mannose: Implications to the generation of carbohydrate specificity
J. MOL. BIOL (2002). 317, 237-247.
- The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole
CRYST. RES. TECHNOL. (2002). 37(2-3), 301-308. - Crystal Structure Analysis of 1',2',3',4'-tetrahydro-1,3-diphenyl-4-chlorospiro[2-pyrazoline-5,2-napthalen]1'one
CRYST. RES. TECHNOL. (2002). 37(1), 135-141. - Crystallization and preliminary X-ray studies of the single-stranded DNA-binding protein from Mycobacterium tuberculosis
ACTA CRYST. (2002). D58, 327-329.
Year 2001
- Tricoccin R6
ACTA CRYST. (2001). E57, 0116-0117. - Tricoccin R2 Erratum
ACTA CRYST. (2001). C57, 499. - 4-tert-Butyl-2,6-bis(piperidinomethyl)phenol
ACTA CRYST. (2001). E57, 0878-0880.
Year 2000
- Crystal and molecular structure of Desmodin
CRYST. RES. TECHNOL. (2000). 35(9), 1117-1123. - Structural Basis of the Anionic Interface Preference and Kcat Activation of pancreatic phospholipase A2
BIOCHEMISTRY (2000). 39(40), 12312-12323.
- Protein sequence search tool(PSST): A web-based interactive search engine
CURR. SCIENCE (2000). 78(5), 550-552.
Year 1999
- Crystal Structure at 1.8 Å resolution and proposed amino acid sequence of a thermostable xylanase from Thermoascus aurantiacus
J. MOL. BIOL (1999). 288, 999-1012.
- Structures of the catalytic site mutants D99A and H48Q and the calcium-loop mutant D49E of phospholipase A2
ACTA CRYST. (1999). D55, 443-447.
- High-resolution refinement of the orthorhombic bovine pancreatic phospholipase A2
ACTA CRYST. (1999). D55, 46-50.
Year 1998
- A novel end-to-end binding of two netropsins to the DNA decamers d(CCCCCIIIII)2 , d(CCCBr5CCIIIII)2 and d(CBr5CCCCIIIII)2
NUCL. ACIDS RES. (1998). 26(23), 5464-5471.
- 1.72Å Resolution Refinement of the Trigonal form of bovine pancreatic phospholipase A2
ACTA CRYST. (1998). D54, 342-346.
- Structure of the complex of bovine pancreatic PLA2 with a Transition-State Analogue
ACTA CRYST. (1998). D54, 334-341.
Year 1997
- Crystal structure of the complex of bovine pancreatic Phospholipase A2 with the inhibitor 1-hexadecyl-3(trifluoroethyl)sn-glycero-2-phosphomethanol
BIOCHEMISTRY (1997). 36, 14186-14191.
- Phospholipase A2 Engineering. Structural and functional roles of the highly conserved active site residue Aspartate-99
BIOCHEMISTRY (1997). 36, 3104-3114.
Year 1996
- Phospholipase A2 Engineering. Deletion of the C-terminus segment changes substrate specificity and uncouples calcium and substrate binding at the zwitterionic interface
BIOCHEMISTRY (1996). 35, 12164-12174.
- A three fold symmetric β-prism fold without internal sequence homology in the two-chain Jacalin
ACTA CRYST. (1996). A52, C-174. - A novel mode of carbohydrate recognition in Jacalin, a Moraceae plant lectin with a β-prism fold
NATURE STRUC. BIOL. (1996). 3(7), 596-603.
- Tricoccin R2
ACTA CRYST. (1996). C52, 92-94. - Tricoccin S43
ACTA CRYST. (1996). C52, 110-112.
Year 1994
- Structure of Trijugin A
ACTA CRYST. (1994). C50, 460-462. - STATCW and STATCN: FORTRAN programs for conducting statistical tests for centrosymmetry
J. APPL. CRYST (1994). 27, 653-659.
Year 1993
- Structure of Zizyberannalic Acid
ACTA CRYST. (1993). C49, 616-618. - Crystal and Molecular Structure of 1-Methyl-3-ethyl-2,6-diphenyl-4- piperidone and a study of the geometry of the 4-piperidone ring
J. CRYST and SPEC. RES. (1993). 23(2), 101-105. - Structure of 1,8-Dimethyl-4-oxo-1,2,2a,3,4,5-hexahydrocyclopenta[de]quinoline
ACTA CRYST. (1993). C49, 97-99. - Structure of 4-piperidone derivatives III. 1,3,3-Trimethyl-2, 6-diphenyl-4-piperidone and 2,6-Bis(p- chlorophenyl)-1,3,5-Trimethyl-4-piperidone
ACTA CRYST. (1993). C49, 93-95. - New techniques for the determination of the Scale and Overall isotropic temperature factors
ACTA CRYST. (1993). A49, 389-398. - Statistical Characteristics of the Truncated Wilson Distributions
ACTA CRYST. (1993). A49, 162-170.
Year 1992
- Structure of Dimethyl Ceanothate
ACTA CRYST. (1992). C48, 2251-2253. - An algorithm for conducting hypotheses testing based on Neymann-Pearson Lemma. I. The case of continuous univariates
CURR. SCIENCE (1992). 63(11), 677-681.
Year 1991
- Theoretical Evaluation of the overall values of Booth type R-indices based on intensity variables
PRAMANA-J.PHYSICS (1991). 36(6), 581-588.
Year 1990
- STATC. A FORTRAN program for conducting statistical tests for centrosymmetry
ACTA CRYST. (1990). A46, C-37. - Some aspects regarding the measurability of Bijvoet differences in the heavy atom derivatives of proteins
IND. J. PURE AND APPL. PHYSICS (1990). 28, 272-275. - Structure of 4-piperidone derivatives. II. 2,6-Bis(p-methoxy phenyl)-3,5- dimethyl- 4-piperidone
ACTA CRYST. (1990). C46, 1338-1340. - Structure of 4-piperidone derivatives.I. 3-Methyl-2,6-diphenyl-4-piperidone
ACTA CRYST. (1990). C46, 1153-1155.
Year 1987
- Measurability of Bijvoet differences in triclinic, monoclinic and orthorhombic crystals. II
ACTA CRYST. (1987). A43, 653-655.