Year |
Citation |
Score |
2023 |
Xu Y, Guo X, Yan D, Dang X, Guo L, Jia T, Wang Q. Molecular Dynamics Simulation-Driven Focused Virtual Screening and Experimental Validation of Inhibitors for MTDH-SND1 Protein-Protein Interaction. Journal of Chemical Information and Modeling. PMID 37226724 DOI: 10.1021/acs.jcim.3c00310 |
0.304 |
|
2020 |
Chen Y, Zheng Y, Fong P, Mao S, Wang Q. The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors. Physical Chemistry Chemical Physics : Pccp. PMID 32328599 DOI: 10.1039/D0Cp00831A |
0.349 |
|
2017 |
Edupuganti R, Taliaferro JM, Wang Q, Xie X, Cho EJ, Vidhu F, Ren P, Anslyn EV, Bartholomeusz C, Dalby KN. Discovery of a potent inhibitor of MELK that inhibits expression of the anti-apoptotic protein Mcl-1 and TNBC cell growth. Bioorganic & Medicinal Chemistry. PMID 28351607 DOI: 10.1016/J.Bmc.2017.03.018 |
0.762 |
|
2016 |
Kaoud TS, Johnson WH, Ebelt ND, Piserchio A, Warthaka M, Cano M, Sammons R, Wang Q, Ren P, Ghose R, Dalby KN. Abstract 3771: Discovery of a covalent inhibitor of ERK docking-interactions that inhibits A375 melanoma cells proliferation Cancer Research. 76: 3771-3771. DOI: 10.1158/1538-7445.Am2016-3771 |
0.736 |
|
2015 |
Wang Q, Edupuganti R, Tavares CD, Dalby KN, Ren P. Using docking and alchemical free energy approach to determine the binding mechanism of eEF2K inhibitors and prioritizing the compound synthesis. Frontiers in Molecular Biosciences. 2: 9. PMID 25988177 DOI: 10.3389/Fmolb.2015.00009 |
0.76 |
|
2014 |
Devkota AK, Edupuganti R, Yan C, Shi Y, Jose J, Wang Q, Kaoud TS, Cho EJ, Ren P, Dalby KN. Reversible covalent inhibition of eEF-2K by carbonitriles. Chembiochem : a European Journal of Chemical Biology. 15: 2435-42. PMID 25224652 DOI: 10.1002/Cbic.201402321 |
0.78 |
|
2014 |
Edupuganti R, Wang Q, Tavares CD, Chitjian CA, Bachman JL, Ren P, Anslyn EV, Dalby KN. Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors. Bioorganic & Medicinal Chemistry. 22: 4910-6. PMID 25047940 DOI: 10.1016/J.Bmc.2014.06.050 |
0.682 |
|
2014 |
Tavares CD, Ferguson SB, Giles DH, Wang Q, Wellmann RM, O'Brien JP, Warthaka M, Brodbelt JS, Ren P, Dalby KN. The molecular mechanism of eukaryotic elongation factor 2 kinase activation. The Journal of Biological Chemistry. 289: 23901-16. PMID 25012662 DOI: 10.1074/Jbc.M114.577148 |
0.683 |
|
2014 |
Wang Q, Park J, Devkota AK, Cho EJ, Dalby KN, Ren P. Identification and validation of novel PERK inhibitors. Journal of Chemical Information and Modeling. 54: 1467-75. PMID 24745945 DOI: 10.1021/Ci500114R |
0.766 |
|
2014 |
Mu X, Wang Q, Wang LP, Fried SD, Piquemal JP, Dalby KN, Ren P. Modeling organochlorine compounds and the σ-hole effect using a polarizable multipole force field. The Journal of Physical Chemistry. B. 118: 6456-65. PMID 24484473 DOI: 10.1021/Jp411671A |
0.538 |
|
2014 |
Park J, Wang Q, Kaoud TS, Tavares CDJ, Edupuganti R, Ren P, Dalby KN. Abstract 513: Investigating stress-response pathways in pancreatic cancer cells using novel PERK inhibitors Cancer Research. 74: 513-513. DOI: 10.1158/1538-7445.Am2014-513 |
0.758 |
|
2013 |
Park J, Wang Q, Ren P, Dalby KN. Abstract 4542: Towards the identification of PKR-like endoplasmic reticulum kinase (PERK) inhibitors. Cancer Research. 73: 4542-4542. DOI: 10.1158/1538-7445.Am2013-4542 |
0.615 |
|
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