Characterization of β3-adrenergic receptor: determination of pharmacophore and 3D QSAR model for β3 adrenergic receptor agonism. - Philip Prathipati; Anil K. Saxena (J. Comput. Aided Mol. Des., 2005)

CoMFA and Docking Studies on Glycogen Phosphorylase a Inhibitors as Antidiabetic Agents. - Philip Prathipati; Gyanendra Pandey; Anil K. Saxena (J. Chem. Inf. Model., 2005)

3D QSAR Studies on Protein Tyrosine Phosphatase 1B Inhibitors: Comparison of the Quality and Predictivity among 3D QSAR Models Obtained from Different Conformer-Based Alignments. - Gyanendra Pandey; Anil K. Saxena (J. Chem. Inf. Model., 2006)

Evaluation of Binary QSAR Models Derived from LUDI and MOE Scoring Functions for Structure Based Virtual Screening. - Philip Prathipati; Anil K. Saxena (J. Chem. Inf. Model., 2006)

Consensus Superiority of the Pharmacophore-Based Alignment, Over Maximum Common Substructure (MCS): 3D-QSAR Studies on Carbamates as Acetylcholinesterase Inhibitors. - Shailendra S. Chaudhaery; Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2009)

Pharmacophore Modeling of Substituted 1, 2, 4-Trioxanes for Quantitative Prediction of their Antimalarial Activity. - Amit K. Gupta; S. Chakroborty; Kumkum Srivastava; Sunil K. Puri; Anil K. Saxena (J. Chem. Inf. Model., 2010)

Profiling the Structural Determinants for the Selectivity of Representative Factor-Xa and Thrombin Inhibitors Using Combined Ligand-Based and Structure-Based Approaches. - Shome S. Bhunia; Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2011)

Structural Basis for the β-Adrenergic Receptor Subtype Selectivity of the Representative Agonists and Antagonists. - Kuldeep K. Roy; Anil K. Saxena (J. Chem. Inf. Model., 2011)

Toward the Identification of a Reliable 3D QSAR Pharmacophore Model for the CCK2 Receptor Antagonism. - Amit K. Gupta; Kanika Varshney; Anil K. Saxena (J. Chem. Inf. Model., 2012)

Identification of Novel S-Adenosyl-l-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation. - Prashant Khare; Amit K. Gupta; Praveen K. Gajula; Krishna Y. Sunkari; Anil K. Jaiswal; Sanchita Das; Preeti Bajpai; Tushar K. Chakraborty; Anuradha Dube; Anil K. Saxena (J. Chem. Inf. Model., 2012)

Identification of Novel Amino Acid Derived CCK-2R Antagonists As Potential Antiulcer Agent: Homology Modeling, Design, Synthesis, and Pharmacology. - Amit K. Gupta; Kanika Varshney; Neetu Singh; Vaibhav Mishra; Mridula Saxena; Gautam Palit; Anil K. Saxena (J. Chem. Inf. Model., 2013)