A Virtual Screening Approach for Thymidine Monophosphate Kinase Inhibitors as Antitubercular Agents Based on Docking and Pharmacophore Models
Gopalakrishnan, B, Aparna, V, Jeevan, J, Ravi, M, Desiraju, G. R
Published in Journal of chemical information and modeling (01.07.2005)
Published in Journal of chemical information and modeling (01.07.2005)
Get full text
Journal Article
Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions
Aparna, V, Rambabu, G, Panigrahi, S. K, Sarma, J. A. R. P, Desiraju, G. R
Published in Journal of chemical information and modeling (01.05.2005)
Published in Journal of chemical information and modeling (01.05.2005)
Get full text
Journal Article
Crystal Gazing: Structure Prediction and Polymorphism
Desiraju, Gautam R.
Published in Science (American Association for the Advancement of Science) (17.10.1997)
Published in Science (American Association for the Advancement of Science) (17.10.1997)
Get full text
Journal Article
Computer-Aided Design of Selective COX-2 Inhibitors: Comparative Molecular Field Analysis, Comparative Molecular Similarity Indices Analysis, and Docking Studies of Some 1,2-Diarylimidazole Derivatives
Desiraju, G. R, Gopalakrishnan, B, Jetti, R. K. R, Nagaraju, A, Raveendra, D, Sarma, J. A. R. P, Sobhia, M. E, Thilagavathi, R
Published in Journal of medicinal chemistry (24.10.2002)
Published in Journal of medicinal chemistry (24.10.2002)
Get full text
Journal Article
C-H...O packing motifs in some cyclopenta[a]phenanthrenes
Desiraju, G R, Kashino, S, Coombs, M M, Glusker, J P
Published in Acta crystallographica. Section B, Structural science (01.10.1993)
Published in Acta crystallographica. Section B, Structural science (01.10.1993)
Get more information
Journal Article
Insights into ligand selectivity in nitric oxide synthase isoforms: A molecular dynamics study
Aparna, V., Desiraju, G.R., Gopalakrishnan, B.
Published in Journal of molecular graphics & modelling (01.09.2007)
Published in Journal of molecular graphics & modelling (01.09.2007)
Get full text
Journal Article
Supramolecular Structures – Reason and Imagination
Nangia, A., Desiraju, G. R.
Published in Acta crystallographica. Section A, Foundations of crystallography (01.11.1998)
Published in Acta crystallographica. Section A, Foundations of crystallography (01.11.1998)
Get full text
Journal Article
Area correction of multi-atom–acceptor hydrogen bond frequency distributions
Ciunik, Zbigniew, Desiraju, Gautam R.
Published in Chemical communications (Cambridge, England) (01.01.2001)
Published in Chemical communications (Cambridge, England) (01.01.2001)
Get full text
Journal Article
Halogen...O(nitro) supramolecular synthon in crystal engineering : A combined crystallographic database and Ab initio molecular orbital study
ALLEN, F. H, LOMMERSE, J. P. M, HOY, V. J, HOWARD, J. A. K, DESIRAJU, G. R
Published in Acta crystallographica. Section B, Structural science (01.12.1997)
Published in Acta crystallographica. Section B, Structural science (01.12.1997)
Get full text
Journal Article