Items where Author is "Desiraju, G. R. "

Article

Aparna, V. ; Desiraju, G. R. ; Gopalakrishnan, B. (2007) Insights into ligand selectivity in nitric oxide synthase isoforms: a molecular dynamics study Journal of Molecular Graphics and Modelling, 26 (2). pp. 457-470. ISSN 1093-3263

Bhatt, P. M. ; Desiraju, G. R. (2007) 5,5-dibenzylbarbituric acid monohydrate Acta Crystallographica Section E: Structure Reports Online, 63 . pp. o771-o772. ISSN 1600-5368

Ghosh, S. ; Reddy, C. M. ; Desiraju, G. R. (2007) Hexaiodobenzene: a redetermination at 100 k Acta Crystallographica Section E: Structure Reports Online, 63 . pp. o910-o911. ISSN 1600-5368

Sai Ram, K. V. V. M. ; Rambabu, G. ; Sarma, J. A. R. P. ; Desiraju, G. R. (2006) Ligand coordinate analysis of SC-558 from the active site to the surface of COX-2: a molecular dynamics study Journal of Chemical Information and Modeling, 46 (4). pp. 1784-1794. ISSN 1549-9596

Saha, B. K. ; Banerjee, R. ; Nangia, A. ; Desiraju, G. R. (2006) A 1:1 molecular complex of 4-methylpyridine N-oxide and saccharin Acta Crystallographica Section E: Structure Reports Online, 62 . pp. o2283-o2284. ISSN 1600-5368

Bhatt, P. M. ; Desiraju, G. R. (2006) Form I of desloratadine, a tricyclic antihistamine Acta Crystallographica Section C: Crystal Structure Communications, 62 . pp. o362-o363. ISSN 0108-2701

Banerjee, R. ; Saha, B. K. ; Desiraju, G. R. (2006) Solid-state architecture of saccharin salts of some diamines Acta Crystallographica Section C: Crystal Structure Communications, 62 . pp. o346-o349. ISSN 0108-2701

Aparna, V. ; Jeevan, J. ; Ravi, M. ; Desiraju, G. R. ; Gopalakrishnan, B. (2006) 3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods Bioorganic & Medicinal Chemistry Letters, 16 (4). pp. 1014-1020. ISSN 0960-894X

Gopalakrishnan, B. ; Aparna, V. ; Jeevan, J. ; Ravi, M. ; Desiraju, G. R. (2005) A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models Journal of Chemical Information and Modeling, 45 (4). pp. 1101-1108. ISSN 1549-9596

Das, D. ; Desiraju, G. R. ; Jetti, R. K. R. ; Boese, R. (2005) A rare syn-anti catemer in 4-nitrophenylpropiolic acid Acta Crystallographica Section E: Structure Reports Online, 61 . pp. o1588-o1589. ISSN 1600-5368

Aparna, V. ; Rambabu, G. ; Panigrahi, S. K. ; Sarma, J. A. R. P. ; Desiraju, G. R. (2005) Virtual screening of 4-anilinoquinazoline analogues as EGFR kinase inhibitors: importance of hydrogen bonds in the evaluation of poses and scoring functions Journal of Chemical Information and Modeling, 45 (3). pp. 725-738. ISSN 1549-9596

Basavoju, S. ; Reddy, C. M. ; Desiraju, G. R. (2005) 2-(methylsulfanyl)nicotinic acid Acta Crystallographica Section E: Structure Reports Online, 61 . pp. o822-o823. ISSN 1600-5368

Vangala, V. R. ; Desiraju, G. R. ; Jetti, R. K. R. ; Blaser, D. ; Boese, R. (2002) A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol Acta Crystallographica Section C: Crystal Structure Communications, 58 . pp. o635-o636. ISSN 0108-2701

Kumar, V. S. Senthil ; Kuduva, S. S. ; Desiraju, G. R. (2002) 3,5-dinitrosalicylic acid-phenazine (1/1) Acta Crystallographica Section E: Structure Reports Online, 58 . pp. o865-o866. ISSN 1600-5368

Desiraju, G. R. ; Sarma, J. A. R. P. ; Raveendra, D. ; Gopalakrishnan, B. ; Thilagavathi, R. ; Sobhia, M. E. ; Subramanya, H. S. (2001) Computer-aided design of selective cox-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives Journal of Physical Organic Chemistry, 14 (7). pp. 481-487. ISSN 0894-3230

Varma, A. K. ; Nangia, A. ; Desiraju, G. R. ; Giri, V. S. ; Jaisankar, P. (2001) Hydrogen bonding in two tetracyclic indole alkaloids Acta Crystallographica Section C: Crystal Structure Communications, 57 . pp. 97-99. ISSN 0108-2701

Bilton, C. ; Howard, J. A. K. ; Madhavi, N. N. L. ; Nangia, A. ; Desiraju, G. R. ; Allen, F. H. ; Wilson, C. C. (2000) Crystal engineering in the gem-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O-H …O hydrogen bonds Acta Crystallographica Section B: Structural Science, 56 . pp. 1071-1079. ISSN 0108-7681

Broder, C. K. ; Howard, J. A. K. ; Keen, D. A. ; Wilson, C. C. ; Allen, F. H. ; Jetti, R. K. R. ; Nangia, A. ; Desiraju, G. R. (2000) Halogen trimer synthons in crystal engineering: low-temperature x-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B: Structural Science, 56 . pp. 1080-1084. ISSN 0108-7681

Madhavi, N. N. L. ; Desiraju, G. R. ; Bilton, C. ; Howard, J. A. K. ; Allen, F. H. (2000) Racemic 1,2-diphenylbut-3-yn-2-ol Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 1359-1360. ISSN 0108-2701

Muthuraman, M. ; Nicoud, J. F. ; Masse, R. ; Desiraju, G. R. (2000) Benzyltriphenylphosphonium glutaconaldehyde Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 986-988. ISSN 0108-2701

Thallapally, P. K. ; Desiraju, G. R. (2000) Tris(2-cyanoethyl) isocyanurate Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 572-573. ISSN 0108-2701

Bilton, C. ; Howard, J. A. K. ; Madhavi, N. N. L. ; Desiraju, G. R. ; Allen, F. H. (2000) 4-ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 1356-1358. ISSN 0108-2701

Thalladi, V. R. ; Weiss, H. C. ; Boese, R. ; Nangia, A. ; Desiraju, G. R. (1999) A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone Acta Crystallographica Section B: Structural Science, 55 . pp. 1005-1013. ISSN 0108-7681

Jetti, R. K. R. ; Weiss, H. C. ; Thalladi R., V. R. ; Nangia, A. ; Desiraju, G. R. (1999) 4-(triphenylmethyl)phenol-triphenylphosphine oxide (1/1) Acta Crystallographica Section C: Crystal Structure Communications, 55 . pp. 1530-1533. ISSN 0108-2701

Thalladi, V. R. ; Muthuraman, M. ; Nangia, A. ; Desiraju, G. R. (1999) Tri-p-tolyl-1,3,5-triazine Acta Crystallographica Section C: Crystal Structure Communications, 55 . pp. 698-700. ISSN 0108-2701

Anthony, A. ; Jaskolski, M. ; Nangia, A. ; Desiraju, G. R. (1998) 17,17-ethylenedioxyandrost-4-ene-3,6-dione and 17,17-ethylenedioxyandrosta-1,4-diene-3,6-dione Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 1894-1898. ISSN 0108-2701

Anthony, A. ; Jaskolski, M. ; Nangia, A. ; Desiraju, G. R. (1998) 5β -androstan-3,17-dione Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 1898-1900. ISSN 0108-2701

Anthony, A. ; Desiraju, G. R. ; Jetti, R. K. R. ; Kuduva, S. S. ; Madhavi, N. N. L. ; Nangia, A. ; Thaimattam, R. ; Thalladi, V. R. (1998) Crystal engineering: some further strategies Crystal Engineering, 1 (1). pp. 1-18. ISSN 1463-0184

Thalladi, V. R. ; Katz, A. K. ; Carrell, H. L. ; Nangia, A. ; Desiraju, G. R. (1998) Trimethyl isocyanurate and triethyl isocyanurate Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 86-89. ISSN 0108-2701

Zyss, J. ; Brasselet, S. ; Thalladi, V. R. ; Desiraju, G. R. (1998) Octupolar versus dipolar crystalline structures for nonlinear optics: a dual crystal and propagative engineering approach Journal of Chemical Physics, 109 (2). pp. 658-669. ISSN 0021-9606

Biradha, K. ; Zaworotko, M. J. ; Nangia, A. ; Desiraju, G. R. (1997) 2,6-dibenzoyl-1,4-benzoquinone Acta Crystallographica Section C: Crystal Structure Communications, 53 . pp. 1653-1655. ISSN 0108-2701

Thalladi, V. R. ; Sharma, C. V. K. ; Desiraju, G. R. (1997) 2,4-dinitro-trans-cinnamic acid Acta Crystallographica Section C: Crystal Structure Communications, 53 . pp. 227-229. ISSN 0108-2701

Biradha, K. ; Desiraju, G. R. ; Carrell, H. L. ; Katz, A. K. (1996) 2,6-dibenzoylhydroquinone Acta Crystallographica Section C: Crystal Structure Communications, 52 . pp. 2839-2841. ISSN 0108-2701

Allen, F. H. ; Lommerse, J. P. M. ; Hoy, V. J. ; Howard, J. A. K. ; Desiraju, G. R. (1996) The hydrogen-bond C-H donor and ∏ -acceptor characteristics of three-membered rings Acta Crystallographica Section B: Structural Science, 52 . pp. 734-745. ISSN 0108-7681

Reddy, D. S. ; Panneerselvam, K. ; Desiraju, G. R. ; Carrell, H. L. ; Carrell, C. J. (1995) 1,3,5-tricyanobenzene Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 2352-2354. ISSN 0108-2701

Sharma, C. V. K. ; Panneerselvam, K. ; Desiraju, G. R. ; Pilati, T. (1995) Methyl 3,5-dinitro-trans-cinnamate Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 1364-1366. ISSN 0108-2701

Goud, B. S. ; Reddy, P. K. ; Panneerselvam, K. ; Desiraju, G. R. (1995) 1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(n,n-dimethylamino)-trans-cinnamic acid Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 683-685. ISSN 0108-2701

Goud, B. S. ; Panneerselvam, K. ; Zacharias, D. E. ; Desiraju, G. R. (1995) 4,6-dimethyl-2-(4-nitrobenzylidene)-3(2h)-benzofuranone Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 265-267. ISSN 0108-2701

Desiraju, G. R. ; Kashino, S. ; Coombs, M. M. ; Glusker, J. P. (1993) C-H···O packing motifs in some cyclopenta[a]phenanthrenes Acta Crystallographica Section B: Structural Science, 49 . pp. 880-892. ISSN 0108-7681

Goud, B. S. ; Pathaneni, S. S. ; Desiraju, G. R. (1993) Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group disorder Acta Crystallographica Section C: Crystal Structure Communications, 49 . pp. 1107-1111. ISSN 0108-2701

Goud, B. S. ; Desiraju, G. R. (1993) Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen-bonding pattern Acta Crystallographica Section C: Crystal Structure Communications, 49 . pp. 292-294. ISSN 0108-2701

Desiraju, G. R. ; Calabrese, J. C. ; Harlow, R. L. (1991) Pseudoinversion centers in space group P1 and a redetermination of the crystal structure of 3,4-dimethoxycinnamic acid. A study of non-crystallographic symmetry Acta Crystallographica Section B: Structural Science, 47 . pp. 77-86. ISSN 0108-7681

Harlow, R. L. ; Desiraju, G. R. (1990) Structure of perhydrotriphenylene Acta Crystallographica Section C: Crystal Structure Communications, 46 . pp. 1054-1055. ISSN 0108-2701

Desiraju, G. R. ; Rao, D. R. (1990) Structure of l-lanthionine Acta Crystallographica Section C: Crystal Structure Communications, 46 . pp. 627-629. ISSN 0108-2701

Desiraju, G. R. ; Gavezzotti, A. (1989) Crystal structures of polynuclear aromatic hydrocarbons. Classification, rationalization and prediction from molecular structure Acta Crystallographica Section B: Structural Science, B45 . pp. 473-482. ISSN 0108-7681

Nalini, V. ; Desiraju, G. R. (1989) Structure of 4-phenylthiazole-2(3h)-thione (1) and bis(4-chlorophenacyl) disulfide (2), the product obtained on its gas-solid chlorination Acta Crystallographica Section C: Crystal Structure Communications, 45 . pp. 1525-1527. ISSN 0108-2701

Nalini, V. ; Desiraju, G. R. (1989) Tautomerism in thiazolethiones. Structure of 4-(3-nitrophenyl)thiazole-2(3h)-thione Acta Crystallographica Section C: Crystal Structure Communications, 45 . pp. 1528-1530. ISSN 0108-2701

Nalini, V. ; Desiraju, G. R. (1988) Structure of (4SR,6aRS)-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4,5,6,6a-tetrahydro-5,5,6a-trimethyl-2(1H)-pentalenone Acta Crystallographica Section C: Crystal Structure Communications, 44 . pp. 510-512. ISSN 0108-2701

Nethaji, M. ; Pattabhi, V. ; Desiraju, G. R. (1988) Structure of 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (ferulic acid) Acta Crystallographica Section C: Crystal Structure Communications, 44 . pp. 275-277. ISSN 0108-2701

Gavezzotti, A. ; Desiraju, G. R. (1988) A systematic analysis of packing energies and other packing parameters for fused-ring aromatic hydrocarbons Acta Crystallographica Section B: Structural Science, B44 . pp. 427-434. ISSN 0108-7681

Garcia-Granda, S. ; Beurskens, G. ; Beurskens, P. T. ; Krishna, T. S. R. ; Desiraju, G. R. (1987) Structure of 3,4-dihydroxy-trans-cinnamic acid (caffeic acid) and its lack of solid-state topochemical reactivity Acta Crystallographica Section C: Crystal Structure Communications, 43 . pp. 683-685. ISSN 0108-2701

Krishna, T. S. R. ; Desiraju, G. R. (1986) Structure of 3-hydroxy-6-(4'-methyl)phenylazopyridine Acta Crystallographica Section C: Crystal Structure Communications, 42 . pp. 1246-1248. ISSN 0108-2701

Kearsley, S. K. ; Desiraju, G. R. (1985) Determination of an organic crystal structure with the aid of topochemical and related considerations: correlation of the molecular and crystal structures of α-benzylidene-γ-butyrolactone and 2- benzylidenecyclopentanone with their solid state photoreactivity Proceedings of the Royal Society of London, 397 (1812). pp. 157-181. ISSN 0962-8444

Desiraju, G. R. ; Kamala, R. (1983) 6-chloro-1-methyl-4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide, C₁₄H₁₁ClN₂O₂S Acta Crystallographica Section C: Crystal Structure Communications, 39 . pp. 358-360. ISSN 0108-2701