| Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual … E Pavadai, F El Mazouni, S Wittlin, C De Kock, MA Phillips, K Chibale Journal of chemical information and modeling 56 (3), 548-562, 2016 | 69 | 2016 |
| Computer-aided drug discovery approaches against the tropical infectious diseases malaria, tuberculosis, trypanosomiasis, and leishmaniasis PM Njogu, EM Guantai, E Pavadai, K Chibale ACS infectious diseases 2 (1), 8-31, 2016 | 64 | 2016 |
| Cryo-EM and molecular docking shows myosin loop 4 contacts actin and tropomyosin on thin filaments MH Doran, E Pavadai, MJ Rynkiewicz, J Walklate, E Bullitt, JR Moore, ... Biophysical journal 119 (4), 821-830, 2020 | 47 | 2020 |
| Synthesis, antimycobacterial evaluation and pharmacophore modeling of analogues of the natural product formononetin P Mutai, E Pavadai, I Wiid, A Ngwane, B Baker, K Chibale Bioorganic & Medicinal Chemistry Letters 25 (12), 2510-2513, 2015 | 43 | 2015 |
| Synthesis of new verapamil analogues and their evaluation in combination with rifampicin against Mycobacterium tuberculosis and molecular docking studies in the binding site of … K Singh, M Kumar, E Pavadai, K Naran, DF Warner, PG Ruminski, ... Bioorganic & medicinal chemistry letters 24 (14), 2985-2990, 2014 | 38 | 2014 |
| Docking troponin T onto the tropomyosin overlapping domain of thin filaments E Pavadai, MJ Rynkiewicz, A Ghosh, W Lehman Biophysical journal 118 (2), 325-336, 2020 | 31 | 2020 |
| Protein-protein docking reveals dynamic interactions of tropomyosin on actin filaments E Pavadai, W Lehman, MJ Rynkiewicz Biophysical journal 119 (1), 75-86, 2020 | 30 | 2020 |
| C-terminal troponin-I residues trap tropomyosin in the muscle thin filament blocked-state W Lehman, E Pavadai, MJ Rynkiewicz Biochemical and biophysical research communications 551, 27-32, 2021 | 24 | 2021 |
| Synthesis of fusidic acid bioisosteres as antiplasmodial agents and molecular docking studies in the binding site of elongation factor-G G Kaur, K Singh, E Pavadai, M Njoroge, M Espinoza-Moraga, C De Kock, ... MedChemComm 6 (11), 2023-2028, 2015 | 19 | 2015 |
| Homology modeling and dynamics study of aureusidin synthase—an important enzyme in aurone biosynthesis of snapdragon flower P Elumalai, HL Liu International journal of biological macromolecules 49 (2), 134-142, 2011 | 18 | 2011 |
| In-silico identification of the vaccine candidate epitopes against the Lassa virus hemorrhagic fever P Baral, E Pavadai, BS Gerstman, PP Chapagain Scientific Reports 10 (1), 7667, 2020 | 17 | 2020 |
| Membrane pore formation and ion selectivity of the Ebola virus delta peptide R Pokhrel, E Pavadai, BS Gerstman, PP Chapagain Physical Chemistry Chemical Physics 21 (10), 5578-5585, 2019 | 17 | 2019 |
| Predicting ligand binding sites on protein surfaces by 3-dimensional probability density distributions of interacting atoms JW Jian, P Elumalai, T Pitti, CY Wu, KC Tsai, JY Chang, HP Peng, ... PloS one 11 (8), e0160315, 2016 | 17 | 2016 |
| Interaction of the red pigment-concentrating hormone of the crustacean Daphnia pulex, with its cognate receptor, Dappu-RPCHR: a nuclear magnetic resonance and modeling study GE Jackson, E Pavadai, G Gäde, Z Timol, NH Andersen International journal of biological macromolecules 106, 969-978, 2018 | 16 | 2018 |
| Molecular modeling to investigate the binding of Congo red toward GNNQQNY protofibril and in silico virtual screening for the identification of new aggregation inhibitors JH Zhao, HL Liu, P Elumalai, WH Chen, LC Men, KT Liu Journal of molecular modeling 19, 151-162, 2013 | 16 | 2013 |
| Pharmacophore modeling, virtual screening and docking studies to identify novel HNMT inhibitors P Elumalai, HL Liu, JH Zhao, W Chen, DS Lin, CK Chuang, WB Tsai, Y Ho Journal of the Taiwan Institute of Chemical Engineers 43 (4), 493-503, 2012 | 16 | 2012 |
| Modulation of cardiac thin filament structure by phosphorylated troponin-I analyzed by protein-protein docking and molecular dynamics simulation E Pavadai, MJ Rynkiewicz, Z Yang, IR Gould, SB Marston, W Lehman Archives of biochemistry and biophysics 725, 109282, 2022 | 15 | 2022 |
| Investigation of cation–π interactions in sugar-binding proteins P Elumalai, M Rajasekaran, HL Liu, C Chen Protoplasma 247, 13-24, 2010 | 15 | 2010 |
| The adipokinetic hormones and their cognate receptor from the desert locust, Schistocerca gregaria: solution structure of endogenous peptides and models of their binding to the … GE Jackson, E Pavadai, G Gäde, NH Andersen PeerJ 7, e7514, 2019 | 13 | 2019 |
| 3D-QSAR modeling and synthesis of new fusidic acid derivatives as antiplasmodial agents G Kaur, E Pavadai, S Wittlin, K Chibale Journal of chemical information and modeling 58 (8), 1553-1560, 2018 | 11 | 2018 |
William LehmanProfessor of Physiology & Biophysics, Boston UniversityVerified email at bu.edu
