Items where Author is "Reddy, A. Srinivas"

Reddy, A. Srinivas ; Jalahalli, Vivek ; Kumar, Sunil ; Garg, Rajni ; Zhang, Xiaoyu ; Sastry, G. Narahari (2011) Analysis of HIV protease binding pockets based on 3D shape and electrostatic potential descriptors Chemical Biology & Drug Design, 77 (2). pp. 137-151. ISSN 1747-0277

Reddy, A. Srinivas ; Amarnath, H. S. Durga ; Bapi, Raju S. ; Sastry, G. Madhavi ; Sastry, G. Narahari (2008) Protein ligand interaction database (PLID) Computational Biology and Chemistry, 32 (5). pp. 387-390. ISSN 1476-9271

Reddy, A. Srinivas ; Sastry, G. Madhavi ; Sastry, G. Narahari (2007) Cation-aromatic database Proteins: Structure, Function, and Bioinformatics, 67 (4). pp. 1179-1184. ISSN 0887-3585

Sateesh, B. ; Reddy, A. Srinivas ; Sastry, G. Narahari (2007) Towards design of the smallest planar tetracoordinate carbon and boron systems Journal of Computational Chemistry, 28 (1). pp. 335-343. ISSN 0192-8651

Reddy, A. Srinivas ; Zipse, Hendrik ; Sastry, G. Narahari (2007) Cation− π interactions of bare and coordinatively saturated metal ions: contrasting structural and energetic characteristics The Journal of Physical Chemistry B, 111 (39). pp. 11546-11553. ISSN 1520-6106

Reddy, A. Srinivas ; Pati, S. Priyadarshini ; Kumar, P. Praveen ; Pradeep, H. N. ; Sastry, G. Narahari (2007) Virtual screening in drug discovery - a computational perspective Current Protein & Peptide Science, 8 (4). pp. 329-351. ISSN 1389-2037

Dash, Ranjit ; Moharana, S. S. ; Reddy, A. Srinivas ; Sastry, G. Madhavi ; Sastry, G. Narahari (2006) DSTHO: Database of siRNAs targeted at human oncogenes: a statistical analysis International Journal of Biological Macromolecules, 38 (1). pp. 65-69. ISSN 0141-8130

Reddy, A. Srinivas ; Vijay, Dolly ; Sastry, G. Madhavi ; Sastry, G. Narahari (2006) From subtle to substantial: role of metal ions on π−π interactions The Journal of Physical Chemistry B, 110 (6). pp. 2479-2481. ISSN 1520-6106

Reddy, A. Srinivas ; Sastry, G. Narahari (2005) Cation [M= H⁺, Li⁺, Na⁺, K⁺, Ca²⁺, Mg²⁺, NH⁴⁺, and NMe⁴⁺] interactions with the aromatic motifs of naturally occurring amino acids: a theoretical study The Journal of Physical Chemistry A, 109 (39). pp. 8893-8903. ISSN 1089-5639

Priyakumar, U. Deva ; Reddy, A. Srinivas ; Sastry, G. Narahari (2004) The design of molecules containing planar tetracoordinate carbon Tetrahedron Letters, 45 (12). pp. 2495-2498. ISSN 0040-4039

Dinadayalane, T. C. ; Deepa, S. ; Reddy, A. Srinivas ; Sastry, G. Narahari (2004) Density functional theory study on the effect of substitution and ring annelation to the rim of corannulene The Journal of Organic Chemistry, 69 (23). pp. 8111-8114. ISSN 0022-3263