| Hydrophobic interactions are a key to MDM2 inhibition by polyphenols as revealed by molecular dynamics simulations and MM/PBSA free energy calculations S Verma, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, A Grover PloS one 11 (2), e0149014, 2016 | 82 | 2016 |
| Structural Diversity and Bioactivities of Peptaibol Compounds From the Longibrachiatum Clade of the Filamentous Fungal Genus Trichoderma T Marik, C Tyagi, D Balázs, P Urbán, Á Szepesi, L Bakacsy, G Endre, ... Frontiers in Microbiology 10, 1434, 2019 | 80 | 2019 |
| Development of dual inhibitors against Alzheimer’s disease using fragment‐based QSAR and molecular docking M Goyal, JK Dhanjal, S Goyal, C Tyagi, R Hamid, A Grover BioMed research international 2014 (1), 979606, 2014 | 52 | 2014 |
| Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action K Patel, C Tyagi, S Goyal, S Jamal, D Wahi, R Jain, N Bharadvaja, ... Computational biology and chemistry 59, 37-47, 2015 | 46 | 2015 |
| Molecular principles behind pyrazinamide resistance due to mutations in panD gene in Mycobacterium tuberculosis B Pandey, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, J Kaur, A Grover Gene 581 (1), 31-42, 2016 | 45 | 2016 |
| Diversity profile and dynamics of peptaibols produced by green mould Trichoderma species in interactions with their hosts Agaricus bisporus and Pleurotus ostreatus T Marik, P Urbán, C Tyagi, A Szekeres, B Leitgeb, M Vágvölgyi, ... Chemistry & Biodiversity 14 (6), e1700033, 2017 | 39 | 2017 |
| Natural polyphenolic inhibitors against the antiapoptotic BCL-2 S Verma, A Singh, A Kumari, C Tyagi, S Goyal, S Jamal, A Grover Journal of Receptors and Signal Transduction 37 (4), 391-400, 2017 | 35 | 2017 |
| New 19-Residue Peptaibols from Trichoderma Clade Viride T Marik, C Tyagi, G Racić, D Rakk, A Szekeres, C Vágvölgyi, L Kredics Microorganisms 6 (3), 85, 2018 | 33 | 2018 |
| Molecular modeling and molecular dynamics simulations based structural analysis of the SG2NA protein variants S Soni, C Tyagi, A Grover, SK Goswami BMC research Notes 7, 1-16, 2014 | 33 | 2014 |
| Dynamics of fluoroquinolones induced resistance in DNA gyrase of Mycobacterium tuberculosis B Pandey, S Grover, C Tyagi, S Goyal, S Jamal, A Singh, J Kaur, A Grover Journal of Biomolecular Structure and Dynamics 36 (2), 362-375, 2018 | 30 | 2018 |
| Fragment based G-QSAR and molecular dynamics based mechanistic simulations into hydroxamic-based HDAC inhibitors against spinocerebellar ataxia S Sinha, C Tyagi, S Goyal, S Jamal, P Somvanshi, A Grover Journal of Biomolecular Structure and Dynamics 34 (10), 2281-2295, 2016 | 28 | 2016 |
| Novel Fragment‐Based QSAR Modeling and Combinatorial Design of Pyrazole‐Derived CRK 3 Inhibitors as Potent Antileishmanials S Goyal, JK Dhanjal, C Tyagi, M Goyal, A Grover Chemical biology & drug design 84 (1), 54-62, 2014 | 27 | 2014 |
| Mechanistic insights into mode of action of novel natural cathepsin L inhibitors C Tyagi, S Grover, JK Dhanjal, S Goyal, M Goyal, A Grover BMC genomics 14, 1-12, 2013 | 24 | 2013 |
| Molecular modelling studies on flavonoid derivatives as dual site inhibitors of human acetyl cholinesterase using 3D-QSAR, pharmacophore and high throughput screening approaches M Goyal, S Grover, JK Dhanjal, S Goyal, C Tyagi, A Grover Medicinal Chemistry Research 23, 2122-2132, 2014 | 22 | 2014 |
| Mechanistic insights into mode of actions of novel oligopeptidase B inhibitors for combating leishmaniasis S Goyal, S Grover, JK Dhanjal, M Goyal, C Tyagi, S Chacko, A Grover Journal of molecular modeling 20, 1-9, 2014 | 21 | 2014 |
| Fragment based group QSAR and molecular dynamics mechanistic studies on arylthioindole derivatives targeting the α-β interfacial site of human tubulin C Tyagi, A Gupta, S Goyal, JK Dhanjal, A Grover BMC genomics 15, 1-12, 2014 | 19 | 2014 |
| Accelerated molecular dynamics applied to the peptaibol folding problem C Tyagi, T Marik, C Vágvölgyi, L Kredics, F Ötvös International Journal of Molecular Sciences 20 (17), 4268, 2019 | 18 | 2019 |
| Group-based QSAR and molecular dynamics mechanistic analysis revealing the mode of action of novel piperidinone derived protein–protein inhibitors of p53-MDM2 S Goyal, S Grover, JK Dhanjal, C Tyagi, M Goyal, A Grover Journal of Molecular Graphics and Modelling 51, 64-72, 2014 | 18 | 2014 |
| Structural modeling and molecular simulation analysis of HvAP2/EREBP from barley B Pandey, P Sharma, C Tyagi, S Goyal, A Grover, I Sharma Journal of Biomolecular Structure and Dynamics 34 (6), 1159-1175, 2016 | 17 | 2016 |
| Targeting the intersubunit cavity of Plasmodium falciparum glutathione reductase by a novel natural inhibitor: Computational and experimental evidence C Tyagi, J Bathke, S Goyal, M Fischer, HM Dahse, S Chacko, K Becker, ... The International Journal of Biochemistry & Cell Biology 61, 72-80, 2015 | 17 | 2015 |
Abhinav GroverAssistant Professor, School of Biotechnology, JNU, New Delhi在 jnu.ac.in 的电子邮件经过验证
