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Subasri, S and Chaudhary, SK and Kesharwani, M and Sekar, K and Velmurugan, D (2022) Missense mutations in fumarate hydratase leading to cancer: Molecular modeling and molecular dynamics simulations of the mutants. [Book Chapter]
Subasri, S and Chaudhary, Santosh Kumar and Sekar, K and Kesherwani, Manish and Velmurugan, D (2017) Molecular docking and molecular dynamics simulations of fumarate hydratase and its mutant H235N complexed with pyromellitic acid and citrate. In: JOURNAL OF BIOINFORMATICS AND COMPUTATIONAL BIOLOGY, 15 (6).
Dhanasekaran, V and Velmurugan, D and Kanaujia, Shankar Prasad and Sekar, K (2013) Role of invariant water molecules and water-mediated ionic interactions in D-xylose isomerase from Streptomyces rubiginosus. In: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 31 (4). pp. 376-384.
Gupta, Vikas and Prakash, Udaya NA and Lakshmi, V and Boopathy, R and Jeyakanthan, J and Velmurugan, D and Sekar, K (2010) Recognition of active and inactive catalytic triads: A template based approach. In: International Journal of Biological Macromolecules, 46 (3). pp. 317-323.
Shankar, BA Gowri and Sarani, R and Michael, Daliah and Mridula, P and Ranjani, C Vasum and Sowmiya, G and Vasundhar, B and Sudha, P and Jeyakanthan, J and Velmurugan, D and Sekar, K (2007) Ion pairs in non-redundant protein structures. In: Journal of Biosciences, 32 (4). pp. 693-704.
Sekar, K and Yogavel, M and Kanaujia, ShankarPrasad and Sharma, Alok and Velmurugan, D and Poi, MJ and Dauter, Z and Tsai, MD (2006) 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. In: Acta Crystallographica Section D-Biological Crystallography, 62 (7). pp. 717-724.
Sekar, K and Gayathri, D and Velmurugan, D and Jeyakanthan, J and Yamane, T and Poi, MJ and Tsai, MD (2006) Third calcium ion found in an inhibitor-bound phospholipase A2. In: Acta Crystallographica Section D-Biological Crystallography, 62 (4). 392 -397.
Jayalakshmi, J and Mridula, P and Sekar, K and Vaijayanthimala, S and Velmurugan, D (2006) Interaction of water molecules in non-identical protein structures. In: aniIndian Journal of Chemistry Sect. A: Inorgc, Bio-inorganic, Physical, Theoretical & Analytical, 45 (1). pp. 159-162.
Sekar, K and Yogavel, M and Gayathri, D and Velmurugan, D and Krishna, R and Poi, MJ and Dauter, Z and Dauter, M and Tsai, MD (2006) Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase $A_2$. In: Acta Crystallographica, Section F: Structural Biology and Crystallization Communications, 62 (1). pp. 1-5.
Sekar, K and Rajakannan, V and Gayathri, D and Velmurugan, D and Poi, MJ and Dauter, M and Dauter, Z and Tsai, MD (2005) Atomic resolution (0.97 angstrom) structure of the triple mutant(K53,56,121M) of bovine pancreatic phospholipase $A_{2}$. In: Acta Crystallographica Section F: Structural Biology and Crystallization Communications, 61 (Part 1). pp. 3-7.
Sekar, K and Rajakannan, V and Velmurugan, D and Yamane, T and Thirumurugan, R and Dauter, M and Dauter, Z (2004) 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. In: Acta Crystallographica Section D- Biological Crystallography, 60 . pp. 1586-1590.
Sekar, K and Mala, Vaijayanthi S and Yogavel, M and Velmurugan, D and Poi, Ming-Jye and Vishwanath, BS and Gowda, TV and Jeyaprakash, Arokia A and Tsai, MD (2003) Crystal Structures of the Free and Anisic Acid Bound Triple Mutant of Phospholipase $A_2$. In: Journal of Molecular Biology, 333 (2). pp. 367-376.
Bhargavi, Ramya G and Sheik, SS and Velmurugan, D and Sekar, K (2003) Side-chain conformation angles of amino acids: effect of temperature factor cut-off. In: Journal of Structural Biology, 143 (3). pp. 181-184.
Yogavel, M and Aravindan, PG and Velmurugan, D and Sekar, K and Selvi, S and Perumal, PT and Sundara Raj, Shanmuga S and Fun, HK (2003) Supramolecular structures of 2-cyano-3-dimethylamino N-(4-methylphenyl)acrylamide and 2-cyano-3-dimethylamino N-(2-methoxyphenyl)acrylamide. In: Acta Crystallographica Section C-Crystal Structure Communications, 59 (7). pp. 394-396.
Sankaranarayanan, R and Yogavel, M and Velmurugan, D and Srinivasan, PC and Raj, Shanmuga Sundara S and Fun, Hoong-Kun (2003) 2-[2-(5-Ethoxy-4-methoxy-2-nitrophenyl)vinyl]-1H-indole. In: Acta Crystallographica Section E-Structure Reports Online, 59 . O672-O674.
Yogavel, M and Velmurugan, D and Sekar, K and Schenk, H and Fraanje, J and Peschar, R and Srinivasan, S and Athappan, PR and Rafi, ZA (2003) 3-Acetyl-2-hydroxy-2-methylchromene. In: Acta Crystallographica Section E, 59 (5). 0591-0593.
Yogavel, M and Rajakannan, V and Krishna, R and Velmurugan, D and Raghukumar, V (2003) 5-Amino 4-(4-dimethylaminophenyl)-2-(4methoxyphenyl)-7-(pyrrolidin-1-yl)- 1,6-naphthyridine-8-carbonitrile. In: Acta Crystallographica Section E:Structure Reports Online, 59 (2). 0200-0202.
Sankaranarayanan, R and Yogavel, M and Velmurugan, D and Sekar, K and Srinivasan, PC and Raj, Shanmuga Sundara S and Fun, Hoong-Kun (2003) 1,2-Bis[1-phenylsulfonyl-3-(phenylthio)indol-2-yl]ethene. In: Acta Crystallographica Section E-Structure Reports Online, 59 (1). O99-O101.
Sankaranarayanan, R and Yogavel, M and Velmurugan, D and Sekar, K and Babu, G and Perumal, PT and Raj, Shanmuga Sundara S and Fun, HK (2003) 8-Chloro-4-[1-(phenylsulfonyl)indol-3-yl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline. In: Acta Crystallographica Section E: Structure Reports Online, 59 (1). 049-051.
Ompraba, G and Rafi, ZA and Yogavel, M and Velmurugan, D and Sekar, K and Karthikeyan, E and Perumal, S and Choudhury, AR and Row, Guru TN (2003) Crystal and molecular structure of 2,6-bis(4 fluorobenzylidene)cyclohexanone. In: Crystal Research and Technology, 38 (9). p. 8.
Rajakannan, V and Govindasamy, L and Velmurugan, D and Sekar, K and Senthilvelan, A and Raj, Shanmuga Sundar S and Fun, HK (2002) The Crystal Structure of 4-(2-Chlorobenzyl)-5-phenyl-1,2,4-triazole. In: Crystal Research and Technology, 37 (2-3). pp. 301-308.
Jeyakanthan, J and Yogavel, M and Rajan, Joseph T and Velmurugan, D and Sekar, K (2002) Crystal and Molecular Structure of an Acridinedione. In: Crystal Research and Technology, 37 (9). 1029 -1037.
Kaul, Ramesh and Banumathi, S and Velmurugan, D and Rao, Balaji R and Balaram, P (2000) Conformational Choice at alpha,alpha-Di-n-Propylglycine Residues: Helical or Fully Extended Structures? In: Biopolymers, 54 (3). pp. 159-167.
Kaul, R and Balaram, P and Banumathi, S and Velmurugan, D and Ravikumar, K and Rao, Balaji R (2000) Context-dependent conformation of diethylglycine residues in peptides. In: Journal of Peptide Research, 55 (4). pp. 271-278.
Raghothama, S and Chaddha, Manjula and Banumathi, S and Ravikumar, Krishnan and Velmurugan, D and Balaram, P (1998) Conformational Interconversions in Peptide beta-Turns: Discrimination Between Enantiomeric Conformations by Chiral Perturbation. In: Biopolymers, 45 (3). pp. 191-202.
Prasad, S and Mitra, S and Subramanian, E and Velmurugan, D and Rao, RB and Balaram, P (1994) Coexistence of Folded and Extended Conformations of a Tripeptide Containing alpha,alpha-Di-n-propylglycine in Crystals. In: Biochemical and Biophysical Research Communications, 198 (2). pp. 424-430.
