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Tingjun Hou
Tingjun Hou
Qiushi Professor of Pharmaceutical Science, Zhejiang University
Verified email at zju.edu.cn - Homepage
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Cited by
Year
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations
T Hou, J Wang, Y Li, W Wang
Journal of chemical information and modeling 51 (1), 69-82, 2011
23852011
End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design
E Wang, H Sun, J Wang, Z Wang, H Liu, JZH Zhang, T Hou
Chemical reviews 119 (16), 9478-9508, 2019
12472019
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
G Xiong, Z Wu, J Yi, L Fu, Z Yang, C Hsieh, M Yin, X Zeng, C Wu, A Lu, ...
Nucleic acids research 49 (W1), W5-W14, 2021
12282021
Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power
Z Wang, H Sun, X Yao, D Li, L Xu, Y Li, S Tian, T Hou
Physical Chemistry Chemical Physics 18 (18), 12964-12975, 2016
8242016
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking …
T Hou, J Wang, Y Li, W Wang
Journal of computational chemistry 32 (5), 866-877, 2011
6982011
Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set
H Sun, Y Li, S Tian, L Xu, T Hou
Physical Chemistry Chemical Physics 16 (31), 16719-16729, 2014
6532014
Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring
H Sun, Y Li, M Shen, S Tian, L Xu, P Pan, Y Guan, T Hou
Physical Chemistry Chemical Physics 16 (40), 22035-22045, 2014
4662014
Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models
L Xu, H Sun, Y Li, J Wang, T Hou
The journal of physical chemistry B 117 (28), 8408-8421, 2013
4562013
The application of in silico drug-likeness predictions in pharmaceutical research
S Tian, J Wang, Y Li, D Li, L Xu, T Hou
Advanced drug delivery reviews 86, 2-10, 2015
4162015
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
D Jiang, Z Wu, CY Hsieh, G Chen, B Liao, Z Wang, C Shen, D Cao, J Wu, ...
Journal of cheminformatics 13, 1-23, 2021
4122021
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses generated by protein …
F Chen, H Liu, H Sun, P Pan, Y Li, D Li, T Hou
Physical Chemistry Chemical Physics 18 (32), 22129-22139, 2016
4002016
HawkDock: a web server to predict and analyze the protein–protein complex based on computational docking and MM/GBSA
G Weng, E Wang, Z Wang, H Liu, F Zhu, D Li, T Hou
Nucleic acids research 47 (W1), W322-W330, 2019
3982019
Recent advances in free energy calculations with a combination of molecular mechanics and continuum models
J Wang, T Hou, X Xu
Current Computer-Aided Drug Design 2 (3), 287-306, 2006
3612006
ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach
TJ Hou, K Xia, W Zhang, XJ Xu
Journal of chemical information and computer sciences 44 (1), 266-275, 2004
3032004
Molecular dynamics and free energy studies on the wild-type and double mutant HIV-1 protease complexed with amprenavir and two amprenavir-related inhibitors: mechanism for …
T Hou, R Yu
Journal of medicinal chemistry 50 (6), 1177-1188, 2007
3022007
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches
H Sun, L Duan, F Chen, H Liu, Z Wang, P Pan, F Zhu, JZH Zhang, T Hou
Physical Chemistry Chemical Physics 20 (21), 14450-14460, 2018
2772018
Janus structures of transition metal dichalcogenides as the heterojunction photocatalysts for water splitting
Y Ji, M Yang, H Lin, T Hou, L Wang, Y Li, ST Lee
The Journal of Physical Chemistry C 122 (5), 3123-3129, 2018
2632018
Recent development and application of virtual screening in drug discovery: an overview
T Hou, X Xu
Current pharmaceutical design 10 (9), 1011-1033, 2004
2452004
ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification
T Hou, J Wang, W Zhang, X Xu
Journal of chemical information and modeling 47 (1), 208-218, 2007
2412007
ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties
TJ Hou, W Zhang, K Xia, XB Qiao, XJ Xu
Journal of chemical information and computer sciences 44 (5), 1585-1600, 2004
2332004
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