Year |
Citation |
Score |
2013 |
Martin E, Mukherjee P, Tian L, Sullivan D. Abstract SY20-02: Discovering tool compounds and chemistry leads by highly accurate kinase virtual screening.: Cancer Research. 73. DOI: 10.1158/1538-7445.Am2013-Sy20-02 |
0.332 |
|
2012 |
Mukherjee P, Martin E. Profile-QSAR and Surrogate AutoShim protein-family modeling of proteases. Journal of Chemical Information and Modeling. 52: 2430-40. PMID 22607621 DOI: 10.1021/ci300059d |
0.349 |
|
2012 |
Martin E, Mukherjee P. Kinase-kernel models: accurate in silico screening of 4 million compounds across the entire human kinome. Journal of Chemical Information and Modeling. 52: 156-70. PMID 22133092 DOI: 10.1021/Ci200314J |
0.323 |
|
2011 |
Martin E, Mukherjee P, Sullivan D, Jansen J. Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity. Journal of Chemical Information and Modeling. 51: 1942-56. PMID 21667971 DOI: 10.1021/Ci1005004 |
0.351 |
|
2011 |
Mukherjee P, Shah F, Desai P, Avery M. Inhibitors of SARS-3CLpro: virtual screening, biological evaluation, and molecular dynamics simulation studies. Journal of Chemical Information and Modeling. 51: 1376-92. PMID 21604711 DOI: 10.1021/Ci1004916 |
0.6 |
|
2011 |
Shah F, Mukherjee P, Gut J, Legac J, Rosenthal PJ, Tekwani BL, Avery MA. Identification of novel malarial cysteine protease inhibitors using structure-based virtual screening of a focused cysteine protease inhibitor library. Journal of Chemical Information and Modeling. 51: 852-64. PMID 21428453 DOI: 10.1021/Ci200029Y |
0.64 |
|
2010 |
Mukherjee P, Desai P, Zhou YD, Avery M. Targeting the BH3 domain mediated protein-protein interaction of Bcl-xL through virtual screening. Journal of Chemical Information and Modeling. 50: 906-23. PMID 20392095 DOI: 10.1021/Ci1000373 |
0.571 |
|
2010 |
Shah F, Mukherjee P, Desai P, Avery M. Computational approaches for the discovery of cysteine protease inhibitors against malaria and SARS. Current Computer-Aided Drug Design. 6: 1-23. PMID 20370692 DOI: 10.2174/157340910790980142 |
0.611 |
|
2009 |
Pradhan A, Tripathi AK, Desai PV, Mukherjee PK, Avery MA, Walker LA, Tekwani BL. Structure and function of Plasmodium falciparum malate dehydrogenase: role of critical amino acids in co-substrate binding pocket. Biochimie. 91: 1509-17. PMID 19772885 DOI: 10.1016/J.Biochi.2009.09.005 |
0.535 |
|
2009 |
Shah F, Zhang SQ, Kandhari SP, Mukherjee P, Chittiboyina A, Avery MA, Avery BA. In vitro erythrocytic uptake studies of artemisinin and selected derivatives using LC-MS and 2D-QSAR analysis of uptake in parasitized erythrocytes. Bioorganic & Medicinal Chemistry. 17: 5325-31. PMID 19497754 DOI: 10.1016/J.Bmc.2009.05.026 |
0.63 |
|
2009 |
Pradhan A, Mukherjee P, Tripathi AK, Avery MA, Walker LA, Tekwani BL. Analysis of quaternary structure of a [LDH-like] malate dehydrogenase of Plasmodium falciparum with oligomeric mutants. Molecular and Cellular Biochemistry. 325: 141-8. PMID 19184366 DOI: 10.1007/S11010-009-0028-2 |
0.574 |
|
2008 |
Srivastava A, Mukherjee P, Desai PV, Avery MA, Tekwani BL. Structural analysis of farnesyl pyrophosphate synthase from parasitic protozoa, a potential chemotherapeutic target. Infectious Disorders Drug Targets. 8: 16-30. PMID 18473904 DOI: 10.2174/187152608784139587 |
0.615 |
|
2008 |
Mukherjee P, Desai PV, Srivastava A, Tekwani BL, Avery MA. Probing the structures of leishmanial farnesyl pyrophosphate synthases: homology modeling and docking studies. Journal of Chemical Information and Modeling. 48: 1026-40. PMID 18419114 DOI: 10.1021/Ci700355Z |
0.601 |
|
2008 |
Mukherjee P, Pradhan A, Shah F, Tekwani BL, Avery MA. Structural insights into the Plasmodium falciparum histone deacetylase 1 (PfHDAC-1): A novel target for the development of antimalarial therapy. Bioorganic & Medicinal Chemistry. 16: 5254-65. PMID 18362073 DOI: 10.1016/J.Bmc.2008.03.005 |
0.621 |
|
2008 |
Mukherjee P, Desai P, Ross L, White EL, Avery MA. Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits. Bioorganic & Medicinal Chemistry. 16: 4138-49. PMID 18343121 DOI: 10.1016/J.Bmc.2008.01.011 |
0.624 |
|
2008 |
Choi SR, Mukherjee P, Avery MA. The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Current Medicinal Chemistry. 15: 161-71. PMID 18220771 DOI: 10.2174/092986708783330575 |
0.632 |
|
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