Characterization of azithromycin hydrates R Gandhi, O Pillai, R Thilagavathi, B Gopalakrishnan, CL Kaul, ... European journal of pharmaceutical sciences 16 (3), 175-184, 2002 | 91 | 2002 |
A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models B Gopalakrishnan, V Aparna, J Jeevan, M Ravi, GR Desiraju Journal of chemical information and modeling 45 (4), 1101-1108, 2005 | 88 | 2005 |
PAT5A: a partial agonist of peroxisome proliferator-activated receptor γ is a potent antidiabetic thiazolidinedione yet weakly adipogenic P Misra, R Chakrabarti, RK Vikramadithyan, G Bolusu, S Juluri, J Hiriyan, ... Journal of Pharmacology and Experimental Therapeutics 306 (2), 763-771, 2003 | 87 | 2003 |
MD simulations of ligand-bound and ligand-free aptamer: molecular level insights into the binding and switching mechanism of the add A-riboswitch M Sharma, G Bulusu, A Mitra RNA 15 (9), 1673-1692, 2009 | 85 | 2009 |
Computer-aided design of selective COX-2 inhibitors: comparative molecular field analysis, comparative molecular similarity indices analysis, and docking studies of some 1, 2 … GR Desiraju, B Gopalakrishnan, RKR Jetti, A Nagaraju, D Raveendra, ... Journal of medicinal chemistry 45 (22), 4847-4857, 2002 | 83 | 2002 |
Synthesis and cyclooxygenase-2 inhibiting property of 1, 5-diarylpyrazoles with substituted benzenesulfonamide moiety as pharmacophore: preparation of sodium salt for … M Pal, M Madan, S Padakanti, VR Pattabiraman, S Kalleda, A Vanguri, ... Journal of medicinal chemistry 46 (19), 3975-3984, 2003 | 72 | 2003 |
De novo design of new chemical entities for SARS-CoV-2 using artificial intelligence N Bung, SR Krishnan, G Bulusu, A Roy Future medicinal chemistry 13 (06), 575-585, 2021 | 71 | 2021 |
3D-QSAR studies on thieno [3, 2-d] pyrimidines as phosphodiesterase IV inhibitors AK Chakraborti, B Gopalakrishnan, ME Sobhia, A Malde Bioorganic & medicinal chemistry letters 13 (8), 1403-1408, 2003 | 64 | 2003 |
Understanding the Thermostability and Activity of Bacillus subtilis Lipase Mutants: Insights from Molecular Dynamics Simulations B Singh, G Bulusu, A Mitra The Journal of Physical Chemistry B 119 (2), 392-409, 2015 | 63 | 2015 |
New styryl sulfones as anticancer agents MS Vedula, AB Pulipaka, C Venna, VK Chintakunta, S Jennepalli, ... European journal of medicinal chemistry 38 (9), 811-824, 2003 | 62 | 2003 |
Accelerating De Novo Drug Design against Novel Proteins Using Deep Learning SR Krishnan, N Bung, G Bulusu, A Roy Journal of Chemical Information and Modeling 61 (2), 621-630, 2021 | 59 | 2021 |
Strong and weak hydrogen bonds in protein–ligand recognition G Bulusu, GR Desiraju Journal of the Indian Institute of Science 100 (1), 31-41, 2020 | 54 | 2020 |
Carbohydrate binding specificity of the Tn-antigen binding lectin from Vicia villosa seeds (VVLB4) KD Puri, B Gopalakrishnan, A Surolia FEBS letters 312 (2-3), 208-212, 1992 | 54 | 1992 |
Comparative molecular field analysis (CoMFA) of phthalazine derivatives as phosphodiesterase IV inhibitors AK Chakraborti, B Gopalakrishnan, ME Sobhia, A Malde Bioorganic & medicinal chemistry letters 13 (15), 2473-2479, 2003 | 49 | 2003 |
3D-QSAR studies of indole derivatives as phosphodiesterase IV inhibitors AK Chakraborti, B Gopalakrishnan, ME Sobhia, A Malde European journal of medicinal chemistry 38 (11-12), 975-982, 2003 | 44 | 2003 |
Unique properties of Plasmodium falciparum porphobilinogen deaminase VA Nagaraj, R Arumugam, B Gopalakrishnan, YS Jyothsna, ... Journal of biological chemistry 283 (1), 437-444, 2008 | 43 | 2008 |
De Novo Structure-Based Drug Design Using Deep Learning SR Krishnan, N Bung, SR Vangala, R Srinivasan, G Bulusu, A Roy Journal of Chemical Information and Modeling 62 (21), 5100-5109, 2021 | 42 | 2021 |
Mycobacterium tuberculosis chorismate mutase: A potential target for TB M Khanapur, M Alvala, M Prabhakar, KS Kumar, RK Edwin, PS Saranya, ... Bioorganic & medicinal chemistry 25 (6), 1725-1736, 2017 | 42 | 2017 |
A novel SIRT1 inhibitor, 4bb induces apoptosis in HCT116 human colon carcinoma cells partially by activating p53 A Ghosh, A Sengupta, GPK Seerapu, A Nakhi, EVVS Ramarao, N Bung, ... Biochemical and biophysical research communications 488 (3), 562-569, 2017 | 41 | 2017 |
Design of EGFR kinase inhibitors: a ligand-based approach and its confirmation with structure-based studies A Vema, SK Panigrahi, G Rambabu, B Gopalakrishnan, J Sarma, ... Bioorganic & medicinal chemistry 11 (21), 4643-4653, 2003 | 40 | 2003 |