Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers

por Xu, Lai, Li, Youyong
Publicado 2016

Accelerating the Discovery of Metastable IrO(2) for the Oxygen Evolution Reaction by the Self-Learning-Input Graph Neural Network

por Feng, Jie, Dong, Zhihao, Ji, Yujin, Li, Youyong
Publicado 2023

Theoretical Design of Dithienopicenocarbazole-Based Molecules by Molecular Engineering of Terminal Units Toward Promising Non-fullerene Acceptors

por Feng, Jie, Wang, Hongshuai, Rujisamphan, Nopporn, Li, Youyong
Publicado 2020

New Ti-decorated B(40) fullerene as a promising hydrogen storage material

por Dong, Huilong, Hou, Tingjun, Lee, Shuit-Tong, Li, Youyong
Publicado 2015

P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape

por Sun, Huiyong, Li, Youyong, Tian, Sheng, Wang, Junmei, Hou, Tingjun
Publicado 2014

The Selective Interaction between Silica Nanoparticles and Enzymes from Molecular Dynamics Simulations

por Sun, Xiaotian, Feng, Zhiwei, Zhang, Liling, Hou, Tingjun, Li, Youyong
Publicado 2014

Design of Boron Doped C(2)N-C(3)N Coplanar Conjugated Heterostructure for Efficient HER Electrocatalysis

por Xu, Weiwei, Chen, Chongyang, Tang, Chao, Li, Youyong, Xu, Lai
Publicado 2018

Origin of the catalytic activity of phosphorus doped MoS(2) for oxygen reduction reaction (ORR) in alkaline solution: a theoretical study

por Liu, Cheng, Dong, Huilong, Ji, Yujin, Hou, Tingjun, Li, Youyong
Publicado 2018

Fullerene derivatives act as inhibitors of leukocyte common antigen based on molecular dynamics simulations

por Yu, Yi, Sun, Huiyong, Hou, Tingjun, Wang, Suidong, Li, Youyong
Publicado 2018

Many-body effects in an MXene Ti(2)CO(2) monolayer modified by tensile strain: GW-BSE calculations

por Ding, Yi-min, Nie, Xiaomin, Dong, Huilong, Rujisamphan, Nopporn, Li, Youyong
Publicado 2020

A rule-based algorithm for automatic bond type perception

por Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Liling, Hou, Tingjun
Publicado 2012

MORT: a powerful foundational library for computational biology and CADD

por Zhang, Qian, Zhang, Wei, Li, Youyong, Wang, Junmei, Zhang, Jian, Hou, Tingjun
Publicado 2014

ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling

por Lei, Tailong, Li, Youyong, Song, Yunlong, Li, Dan, Sun, Huiyong, Hou, Tingjun
Publicado 2016

Interface engineering of heterogeneous transition metal chalcogenides for electrocatalytic hydrogen evolution

por Song, Ruru, Li, Deyu, Xu, Yafeng, Gao, Junfeng, Wang, Lu, Li, Youyong
Publicado 2021

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...

por Shen, Mingyun, Tian, Sheng, Li, Youyong, Li, Qian, Xu, Xiaojie, Wang, Junmei, Hou, Tingjun
Publicado 2012

Platelet Aggregation Pathway Network-Based Approach for Evaluating Compounds Efficacy

por Gu, Jiangyong, Li, Qian, Chen, Lirong, Li, Youyong, Hou, Tingjun, Yuan, Gu, Xu, Xiaojie
Publicado 2013

Surface-modulated palladium-nickel icosahedra as high-performance non-platinum oxygen reduction electrocatalysts

por Feng, Yonggang, Shao, Qi, Ji, Yujin, Cui, Xiaoneng, Li, Youyong, Zhu, Xing, Huang, Xiaoqing
Publicado 2018

The complete chloroplast genomes of seventeen Aegilops tauschii: genome comparative analysis and phylogenetic inference

por Su, Qing, Liu, Luxian, Zhao, Mengyu, Zhang, Cancan, Zhang, Dale, Li, Youyong, Li, Suoping
Publicado 2020

Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory

por Du, Chunmiao, Ji, Yujin, Xue, Junwei, Hou, Tingjun, Tang, Jianxin, Lee, Shuit-Tong, Li, Youyong
Publicado 2015

A density functional theory study of high-performance pre-lithiated MS(2) (M = Mo, W, V) Monolayers as the Anode Material of Lithium Ion Batteries

por Liu, Tingfeng, Jin, Zhong, Liu, Dong-Xin, Du, Chunmiao, Wang, Lu, Lin, Haiping, Li, Youyong
Publicado 2020