| 3-Carene, a Phytoncide from Pine Tree Has a Sleep-enhancing Effect by Targeting the GABAA-benzodiazepine Receptors J Woo, H Yang, M Yoon, CG Gadhe, AN Pae, S Cho, CJ Lee Experimental neurobiology 28 (5), 593, 2019 | 65 | 2019 |
| Structural Insights from Binding Poses of CCR2 and CCR5 with Clinically Important Antagonists: A Combined In Silico Study G Kothandan, CG Gadhe, SJ Cho PloS one 7 (3), e32864, 2012 | 65 | 2012 |
| Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain G Kothandan, CG Gadhe, T Madhavan, CH Choi, SJ Cho European journal of medicinal chemistry 46 (9), 4078-4088, 2011 | 65 | 2011 |
| Investigation of Molecular Details of Keap1-Nrf2 Inhibitors Using Molecular Dynamics and Umbrella Sampling Techniques AM Londhe, CG Gadhe, SM Lim, AN Pae Molecules 24 (22), 4085, 2019 | 56 | 2019 |
| Large variation in electrostatic contours upon addition of steric parameters and the effect of charge calculation schemes in CoMFA on mutagenicity of MX analogues CG Gadhe, G Kothandan, SJ Cho Molecular Simulation 38 (11), 861-871, 2012 | 40 | 2012 |
| In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series CG Gadhe, T Madhavan, G Kothandan, SJ Cho BMC structural biology 11, 1-15, 2011 | 35 | 2011 |
| Insights into the binding modes of CC chemokine receptor 4 (CCR4) inhibitors: a combined approach involving homology modelling, docking, and molecular dynamics simulation studies CG Gadhe, M Kim Molecular BioSystems 11 (2), 618-634, 2015 | 29 | 2015 |
| In silico study on indole derivatives as anti HIV-1 agents: a combined docking, molecular dynamics and 3D-QSAR study A Balupuri, CG Gadhe, PK Balasubramanian, G Kothandan, SJ Cho Archives of pharmacal research 37, 1001-1015, 2014 | 27 | 2014 |
| Novel Ionophores with 2n-Crown-n Topology: Anion Sensing via Pure Aliphatic C–H···Anion Hydrogen Bonding G Shi, CG Gadhe, SW Park, KS Kim, J Kang, H Seema, NJ Singh, SJ Cho Organic letters 16 (2), 334-337, 2014 | 24 | 2014 |
| In silico characterization of binding mode of CCR8 inhibitor: homology modeling, docking and membrane based MD simulation study CG Gadhe, A Balupuri, SJ Cho Journal of Biomolecular Structure and Dynamics 33 (11), 2491-2510, 2015 | 22 | 2015 |
| 3D QSAR modeling study on 7-aminofuro [2, 3-c] pyridine derivatives as TAK1 inhibitors using CoMFA and COMSIA PK Balasubramanian, A Balupuri, CG Gadhe, SJ Cho Medicinal Chemistry Research 24, 2347-2365, 2015 | 22 | 2015 |
| Binding site analysis of CCR2 through in silico methodologies: Docking, CoMFA, and CoMSIA G Kothandan, CG Gadhe, T Madhavan, SJ Cho Chemical biology & drug design 78 (1), 161-174, 2011 | 22 | 2011 |
| Novel 5, 6-disubstituted pyrrolo [2, 3-d] pyrimidine derivatives as broad spectrum antiproliferative agents: Synthesis, cell based assays, kinase profile and molecular docking … JH Lee, AK El-Damasy, SH Seo, CG Gadhe, AN Pae, N Jeong, SS Hong, ... Bioorganic & medicinal chemistry 26 (21), 5596-5611, 2018 | 20 | 2018 |
| Identification of crizotinib derivatives as potent SHIP2 inhibitors for the treatment of Alzheimer's disease JW Lim, SK Kim, SY Choi, DH Kim, CG Gadhe, HN Lee, HJ Kim, J Kim, ... European journal of medicinal chemistry 157, 405-422, 2018 | 20 | 2018 |
| Development of Oxadiazole-Based ODZ10117 as a Small-Molecule Inhibitor of STAT3 for Targeted Cancer Therapy BH Kim, H Lee, Y Song, JS Park, CG Gadhe, J Choi, CG Lee, AN Pae, ... Journal of clinical medicine 8 (11), 1847, 2019 | 19 | 2019 |
| Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics … CG Gadhe, G Kothandan, SJ Cho Journal of Biomolecular Structure and Dynamics 31 (11), 1251-1276, 2013 | 19 | 2013 |
| A combined 3D QSAR and pharmacophore-based virtual screening for the identification of potent p38 MAP kinase inhibitors: An in silico approach G Kothandan, T Madhavan, CG Gadhe, SJ Cho Medicinal Chemistry Research 22, 1773-1787, 2013 | 19 | 2013 |
| QSAR analysis on PfPK7 inhibitors using HQSAR, CoMFA, and CoMSIA T Madhavan, G Kothandan, CG Gadhe, SJ Cho Medicinal Chemistry Research 21, 681-693, 2012 | 18 | 2012 |
| Ligand based CoMFA, CoMSIA and HQSAR analysis of CCR5 antagonists G GORAKSHNATH, T Madhavan, G Kothandan, DB Choi Bulletin of the Korean Chemical Society 31 (10), 2761-2770, 2010 | 18 | 2010 |
| A Protoberberine derivative HWY336 selectively inhibits MKK4 and MKK7 in mammalian cells: the importance of activation loop on selectivity N Kim, J Park, CG Gadhe, SJ Cho, Y Oh, D Kim, K Song PloS one 9 (4), e91037, 2014 | 17 | 2014 |
