Tingjun Hou

Assessing the Performance of the MM/PBSA and MM/GBSA Methods. 1. The Accuracy of Binding Free Energy Calculations Based on Molecular Dynamics Simulations

Tingjun Hou, Junmei Wang, Youyong Li et al. · Journal of Chemical Information and Modeling · 2010 · 2.8K citations

Natural Sciences, Biophysics, Chemistry +17

ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

Guo‐Li Xiong, Jiacai Yi, Li Fu et al. · Nucleic Acids Research · 2021 · 2.7K citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support

Li Fu, Shaohua Shi, Jiacai Yi et al. · Nucleic Acids Research · 2024 · 977 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

Zhe Wang, Huiyong Sun, Xiaojun Yao et al. · Physical Chemistry Chemical Physics · 2016 · 959 citations

Life Sciences, Bioinformatics, Medicinal Chemistry +17

Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

Tingjun Hou, Junmei Wang, Youyong Li et al. · Journal of Computational Chemistry · 2010 · 755 citations

Natural Sciences, Biophysics, Chemistry +17