Ting Ran
Ting Ran
School of Pharmaceutical Sciences, Xiamen University
Verifierad e-postadress på outerbanks.umaryland.edu
Titel
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CHARMM36m: an improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
Nature methods 14 (1), 71-73, 2017
6692017
An integrated virtual screening approach for VEGFR-2 inhibitors
Y Zhang, S Yang, Y Jiao, H Liu, H Yuan, S Lu, T Ran, S Yao, Z Ke, J Xu, ...
Journal of chemical information and modeling 53 (12), 3163-3177, 2013
352013
Targeting epigenetic reader and eraser: Rational design, synthesis and in vitro evaluation of dimethylisoxazoles derivatives as BRD4/HDAC dual inhibitors
Z Zhang, S Hou, H Chen, T Ran, F Jiang, Y Bian, D Zhang, Y Zhi, L Wang, ...
Bioorganic & medicinal chemistry letters 26 (12), 2931-2935, 2016
222016
Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors
XM Chen, T Lu, S Lu, HF Li, HL Yuan, T Ran, HC Liu, YD Chen
Journal of molecular modeling 16 (7), 1195-1204, 2010
192010
Novel strategy for three-dimensional fragment-based lead discovery
H Yuan, T Lu, T Ran, H Liu, S Lu, W Tai, Y Leng, W Zhang, J Wang, ...
Journal of chemical information and modeling 51 (4), 959-974, 2011
182011
A selectivity study on mTOR/PI3Kα inhibitors by homology modeling and 3D-QSAR
T Ran, T Lu, H Yuan, H Liu, J Wang, W Zhang, Y Leng, G Lin, S Zhuang, ...
Journal of molecular modeling 18 (1), 171-186, 2012
172012
Insight into the key interactions of bromodomain inhibitors based on molecular docking, interaction fingerprinting, molecular dynamics and binding free energy calculation
T Ran, Z Zhang, K Liu, Y Lu, H Li, J Xu, X Xiong, Y Zhang, A Xu, S Lu, ...
Molecular bioSystems 11 (5), 1295-1304, 2015
162015
A selectivity study of sodium‐dependent glucose cotransporter 2/sodium‐dependent glucose cotransporter 1 inhibitors by molecular modeling
J Xu, H Yuan, T Ran, Y Zhang, H Liu, S Lu, X Xiong, A Xu, Y Jiang, T Lu, ...
Journal of Molecular Recognition 28 (8), 467-479, 2015
122015
Novel 1H-pyrazole-3-carboxamide derivatives: synthesis, anticancer evaluation and identification of their DNA-binding interaction
Y Lu, T Ran, G Lin, Q Jin, J Jin, H Li, H Guo, T Lu, Y Wang
Chemical and Pharmaceutical Bulletin, c13-00676, 2014
122014
Identification of covalent binding sites targeting cysteines based on computational approaches
Y Zhang, D Zhang, H Tian, Y Jiao, Z Shi, T Ran, H Liu, S Lu, A Xu, X Qiao, ...
Molecular pharmaceutics 13 (9), 3106-3118, 2016
112016
Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds
Y Zhang, Y Jiao, X Xiong, H Liu, T Ran, J Xu, S Lu, A Xu, J Pan, X Qiao, ...
Molecular diversity 19 (4), 895-913, 2015
102015
Grubmü ller H, MacKerell AD. 2017. CHARMM36m: an improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot
Nature Methods 14, 71-73, 0
9
CHARMM36: An improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
Biophysical Journal 112 (3), 175a-176a, 2017
82017
3D-QSAR and molecular fragment replacement study on diaminopyrimidine and pyrrolotriazine ALK inhibitors
Z Ke, T Lu, H Liu, H Yuan, T Ran, Y Zhang, S Yao, X Xiong, J Xu, A Xu, ...
Journal of Molecular Structure 1067, 127-137, 2014
82014
Fragment-based strategy for structural optimization in combination with 3D-QSAR
H Yuan, W Tai, S Hu, H Liu, Y Zhang, S Yao, T Ran, S Lu, Z Ke, X Xiong, ...
Journal of computer-aided molecular design 27 (10), 897-915, 2013
82013
Molecular modelling on small molecular CDK2 inhibitors: An integrated approach using a combination of molecular docking, 3D-QSAR and pharmacophore modelling
H Yuan, H Liu, W Tai, F Wang, Y Zhang, S Yao, T Ran, S Lu, Z Ke, ...
SAR and QSAR in Environmental Research 24 (10), 795-817, 2013
82013
Synthesis and biological evaluation of 1-(2-Aminophenyl)-3-arylurea derivatives as potential EphA2 and HDAC dual inhibitors
Y Zhu, T Ran, X Chen, J Niu, S Zhao, T Lu, W Tang
Chemical and Pharmaceutical Bulletin 64 (8), 1136-1141, 2016
72016
An efficient multistep ligand-based virtual screening approach for GPR40 agonists
S Yao, T Lu, Z Zhou, H Liu, H Yuan, T Ran, S Lu, Y Zhang, Z Ke, J Xu, ...
Molecular diversity 18 (1), 183-193, 2014
72014
Discovery of a highly selective FLT3 inhibitor with specific proliferation inhibition against AML cells harboring FLT3-ITD mutation
H Heng, Y Zhi, H Yuan, Z Wang, H Li, S Wang, J Tian, H Liu, Y Chen, T Lu, ...
European journal of medicinal chemistry 163, 195-206, 2019
42019
Studies on [5, 6]-fused bicyclic scaffolds derivatives as potent dual B-RafV600E/KDR inhibitors using docking and 3D-QSAR approaches
HC Liu, SZ Tang, S Lu, T Ran, J Wang, YM Zhang, AY Xu, T Lu, YD Chen
International journal of molecular sciences 16 (10), 24451-24474, 2015
42015
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Artiklar 1–20