Suchergebnisse - Li, Youyong

Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers von Xu, Lai, Li, Youyong

Volltext Volltext Volltext

Prediction of peptides binding to the PKA RIIα subunit using a hierarchical strategy von Hou, Tingjun, Li, Youyong, Wang, Wei

Volltext Volltext Volltext

Assessing the performance of the MM/PBSA and MM/GBSA methods: I. The accuracy of binding free energy calculations based on molecular dynamics simulations von Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

Volltext Volltext Volltext

Assessing the performance of the MM/PBSA and MM/GBSA methods: II. The accuracy of ranking poses generated from docking von Hou, Tingjun, Wang, Junmei, Li, Youyong, Wang, Wei

Volltext Volltext Volltext

Characterization of Domain–Peptide Interaction Interface: Prediction of SH3 Domain-Mediated Protein–Protein Interaction Network in Yeast by Generic Structure-Based Models von Hou, Tingjun, Li, Nan, Li, Youyong, Wang, Wei

Volltext Volltext Volltext

Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene Acceptors von Feng, Jie, Wang, Hongshuai, Rujisamphan, Nopporn, Li, Youyong

Volltext Volltext Volltext

New Ti-decorated B(40) fullerene as a promising hydrogen storage material von Dong, Huilong, Hou, Tingjun, Lee, Shuit-Tong, Li, Youyong

Volltext Volltext Volltext

P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape von Sun, Huiyong, Li, Youyong, Tian, Sheng, Wang, Junmei, Hou, Tingjun

Volltext Volltext Volltext

The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations von Sun, Xiaotian, Feng, Zhiwei, Zhang, Liling, Hou, Tingjun, Li, Youyong

Volltext Volltext Volltext

Design of Boron Doped C(2)N-C(3)N Coplanar Conjugated Heterostructure for Efficient HER Electrocatalysis von Xu, Weiwei, Chen, Chongyang, Tang, Chao, Li, Youyong, Xu, Lai

Volltext Volltext Volltext

Origin of the catalytic activity of phosphorus doped MoS(2) for oxygen reduction reaction (ORR) in alkaline solution: a theoretical study von Liu, Cheng, Dong, Huilong, Ji, Yujin, Hou, Tingjun, Li, Youyong

Volltext Volltext Volltext

Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations von Yu, Yi, Sun, Huiyong, Hou, Tingjun, Wang, Suidong, Li, Youyong

Volltext Volltext 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 Volltext Volltext

Prediction of the 3D structure for the rat urotensin II receptor and comparison of the antagonist binding sites and binding selectivity between human and rat from atomistic simulat... von Kim, Soo-Kyung, Li, Youyong, Park, Changmoon, Abrol, Ravinder, Goddard, William A.

Volltext Volltext Volltext

A rule-based algorithm for automatic bond type perception von Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Liling, Hou, Tingjun

Volltext Volltext Volltext

MORT: a powerful foundational library for computational biology and CADD von Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Jian, Hou, Tingjun

Volltext Volltext

ADMET Evaluation in Drug Discovery. 12. Development of Binary Classification Models for Prediction of hERG Potassium Channel Blockage von Wang, Sichao, Li, Youyong, Wang, Junmei, Chen, Lei, Zhang, Liling, Yu, Huidong, Hou, Tingjun

Volltext Volltext Volltext

Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese me... von Shen, Mingyun, Tian, Sheng, Li, Youyong, Li, Qian, Xu, Xiaojie, Wang, Junmei, Hou, Tingjun

Volltext Volltext Volltext

Platelet Aggregation Pathway Network-Based Approach for Evaluating Compounds Efficacy von Gu, Jiangyong, Li, Qian, Chen, Lirong, Li, Youyong, Hou, Tingjun, Yuan, Gu, Xu, Xiaojie

Volltext Volltext Volltext

Surface-modulated palladium-nickel icosahedra as high-performance non-platinum oxygen reduction electrocatalysts von Feng, Yonggang, Shao, Qi, Ji, Yujin, Cui, Xiaoneng, Li, Youyong, Zhu, Xing, Huang, Xiaoqing

Volltext Volltext Volltext