Bilaketaren emaitzak - Li, Youyong

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

Predicted structures and dynamics for agonists and antagonists bound to serotonin 5-HT2B and 5-HT2C receptors nork Kim, Soo-Kyung, Li, Youyong, Abrol, Ravinder, Heo, Jiyoung, Goddard, William A.

Testu osoa Testu osoa Testu osoa

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... nork Kim, Soo-Kyung, Li, Youyong, Park, Changmoon, Abrol, Ravinder, Goddard, William A.

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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... nork Shen, Mingyun, Tian, Sheng, Li, Youyong, Li, Qian, Xu, Xiaojie, Wang, Junmei, Hou, Tingjun

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa

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

Testu osoa Testu osoa Testu osoa