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大连化学物理研究所 [30]
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Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
期刊论文
OAI收割
NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yusong
;
Wang, Tong
;
Li, Shaoning
;
He, Xinheng
;
Li, Mingyu
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2024/02/27
Mapping the Acetylamino and Carboxyl Groups on Glycans by Engineered & alpha;-Hemolysin Nanopores
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2023, 页码: 13
作者:
Xia, Bingqing
;
Fang, Jie
;
Ma, Shengzhou
;
Ma, Mengyao
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/10/17
In silico design of photoresponsive peptide-based hydrogel with controllable structural and rheological properties
期刊论文
OAI收割
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2023, 卷号: 663, 页码: 10
作者:
Wang, Xiao
;
Wang, Yining
;
Wang, Junfeng
;
Li, Zhen
;
Zhang, Jun
  |  
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2023/12/13
Self -assembly
Photoresponsive hydrogel
Short peptide
Colloidal structure
Coarse -grained simulation
Electropumping of water in nanochannels using non-uniform electric fields
期刊论文
OAI收割
CHEMICAL ENGINEERING SCIENCE, 2023, 卷号: 267, 页码: 12
作者:
Xu, Yinxiang
;
Xu, Junbo
;
Liu, Huizhou
;
Yang, Chao
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Electropumping
Net flow
Nanochannel
Molecular dynamics simulation
Non -uniform electric field
Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10
作者:
Guo, Shuai
;
Liu, Yawei
;
Wang, Yanlei
;
Dong, Kun
;
Zhang, Xiangping
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Ionic liquids
CO(2 )electrocatalytic reduction reaction
Density functional theory
Transition state
Hydrogen bond
Molecular dynamics simulations
Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2023, 卷号: 226, 页码: 780-792
作者:
Xiang, Yusen
;
Zhai, Guanglei
;
Li, Yaozong
;
Wang, Mengge
;
Chen, Xixiang
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/04/10
SARS-CoV-2
S-RBD
Ginkgolic acid
Self-assembly of an in silico designed dipeptide derivative to obtain photo-responsive vesicles
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2022, 卷号: 24, 期号: 45, 页码: 27751-27758
作者:
Zhang, Jun
;
Wang, Yining
;
Wang, Junfeng
;
Yan, Youguo
;
Li, Jiawei
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2023/01/04
Dynamic Interactions Between Brilliant Green and MscL Investigated by Solid-State NMR Spectroscopy and Molecular Dynamics Simulations
期刊论文
OAI收割
CHEMISTRY-A EUROPEAN JOURNAL, 2022, 页码: 12
作者:
Ma, Shaojie
;
Zhang, Yan
;
Zhang, Xuning
;
Xie, Huayong
;
Tong, Qiong
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/04/10
Antibiotic
Brilliant Green
mechanosensitive channel of large conductance (MscL)
molecule dynamics simulations
solid-state NMR
Nanobubbles nucleation and mechanistic analysis of ionic liquids aqueous solutions by in-situ liquid cell transmission electron microscopy
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 366, 页码: 13
作者:
Liu, Guliang
;
Ding, Weilu
;
Wang, Ling
;
Wu, Hui
;
Bai, Lu
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/02/24
Nanobubbles nucleation
In-situ TEM
Ionic Liquids
Water radiolysis
Identification of PRMT5 inhibitors with novel scaffold structures through virtual screening and biological evaluations
期刊论文
OAI收割
JOURNAL OF MOLECULAR MODELING, 2022, 卷号: 28, 期号: 7, 页码: 184
作者:
Zhang, Qian
;
Zhang, Lun
;
Jin, Jia
;
Fan, Yaohua
;
Wang, Xiaoguang
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2024/03/21
PRMT5
Small-molecule inhibitors
Virtual screening
Molecular docking
Molecular dynamics simulations