Highly Stable N3-Substituted Imidazolium-Based Alkaline Anion Exchange Membranes: Experimental Studies and Theoretical Calculations von Gu, Fenglou, Dong, Huilong, Li, Youyong, Si, Zhihong, Yan, Feng

Volltext

Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches von Sun, Huiyong, Li, Youyong, Li, Dan, Hou, Tingjun

Volltext

Computational models for predicting substrates or inhibitors of P-glycoprotein von Chen, Lei, Li, Youyong, Yu, Huidong, Zhang, Liling, Hou, Tingjun

Volltext

Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations von Feng, Zhiwei, Hou, Tingjun, Li, Youyong

Volltext

ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs von Cao, Dongyue, Wang, Junmei, Zhou, Rui, Li, Youyong, Yu, Huidong, Hou, Tingjun

Volltext

Feasibility of Using Molecular Docking-Based Virtual Screening for Searching Dual Target Kinase Inhibitors von Zhou, Shunye, Li, Youyong, Hou, Tingjun

Volltext

First-Principles Study on Migration and Coalescence of Point Defects in Monolayer Graphene von Wu, Liang, Hou, Tingjun, Li, Youyong, Chan, K. S, Lee, Shuit-Tong

Volltext

The competitive binding between inhibitors and substrates of HCV NS3/4A protease: A general mechanism of drug resistance von Guan, Yan, Sun, Huiyong, Li, Youyong, Pan, Peichen, Li, Dan, Hou, Tingjun

Volltext

The Influence of Defects on Mo-Doped TiO2 by First-Principles Studies von Yu, Xiaohui, Hou, Tingjun, Sun, Xuhui, Li, Youyong

Volltext

Concerted Movement in pH-Dependent Gating of FocA from Molecular Dynamics Simulations von Feng, Zhiwei, Hou, Tingjun, Li, Youyong

Volltext

Modeling Compound–Target Interaction Network of Traditional Chinese Medicines for Type II Diabetes Mellitus: Insight for Polypharmacology and Drug Design von Tian, Sheng, Li, Youyong, Li, Dan, Xu, Xiaojie, Wang, Junmei, Zhang, Qian, Hou, Tingjun

Volltext

Insights into susceptibility of antiviral drugs against the E119G mutant of 2009 influenza A (H1N1) neuraminidase by molecular dynamics simulations and free energy calculations von Pan, Peichen, Li, Lin, Li, Youyong, Li, Dan, Hou, Tingjun

Volltext

First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped von Wu, Liang, Hou, Tingjun, Wang, Yi, Zhao, Yanfei, Guo, Zhenyu, Li, Youyong, Lee, Shuit-Tong

Volltext

Structure, band gap and energy level modulations for obtaining efficient materials in inverted polymer solar cells von Yuan, Jianyu, Huang, Xiaodong, Dong, Huilong, Lu, Jialing, Yang, Tao, Li, Youyong, Gallagher, Aidan, Ma, Wanli

Volltext

Predicted Structures and Dynamics for Agonists and Antagonists Bound to Serotonin 5-HT2B and 5-HT2C Receptors von Kim, Soo-Kyung, Li, Youyong, Abrol, Ravinder, Heo, Jiyoung, Goddard, William A

Volltext

Atomistic structures and phase transition of In2Se3 nanowires studied by DFT calculations and synchrotron radiation X-ray diffraction von Yu, Xiaohui, Hou, Tingjun, Sun, Xuhui, Li, Youyong

Volltext

Design and synthesis of soluble dibenzosuberane-substituted fullerene derivatives for bulk-heterojunction polymer solar cells von Yang, Tao, Jiang, Zuoquan, Huang, Xiaodong, Wei, Huaixin, Yuan, Jianyu, Yue, Wei, Li, Youyong, Ma, Wanli

Volltext

Origins of Selectivity for the [2+2] Cycloaddition of α,β-unsaturated Ketones within a Porous Self-assembled Organic Framework von Yang, Jun, Dewal, Mahender B, Profeta, Salvatore, Smith, Mark D, Li, Youyong, Shimizu, Linda S

Volltext

Prediction of peptides binding to the PKA Rlla subunit using a hierarchical strategy von TINGJUN HOU, YOUYONG LI, WEI WANG

Volltext

Accelerated Conformational Entropy Calculations Using Graphic Processing Units von Zhang, Qian, Wang, Junmei, Guerrero, Ginés D, Cecilia, José M, García, José M, Li, Youyong, Pérez-Sánchez, Horacio, Hou, Tingjun

Volltext