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Journal of Chemical Theory and Computation|February 2, 2022
Reliable Prediction of the Protein-Ligand Binding Affinity Using a Charge Penetration Corrected AMOEBA Force Field: A Case Study of Drug Resistance Mutations in Abl KinaseXiaoyang Qu, Lina Dong, Yubing Si, et al.
Chembiochem : a European Journal of Chemical Biology|June 20, 2020
Detecting Cysteine in Bioimaging with a Near-Infrared Probe Based on a Novel Fluorescence Quenching MechanismYuanfang Tao, Xin Ji, Jian Zhang, et al.
Chemmedchem|September 30, 2017
Mimicking Intermolecular Interactions of Tight Protein-Protein Complexes for Small-Molecule AntagonistsDavid Xu, Khuchtumur Bum-Erdene, Yubing Si, et al.
The Journal of Physical Chemistry. A|October 29, 2009
CH4 activation by W atom in the gas phase: a case of two-state reactivity processYongCheng Wang, Qiang Wang, ZhiYuan Geng, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 19, 2019
Development of Lysosome-Targeted Fluorescent Probes for Cys by Regulating the Boron-dipyrromethene (BODIPY) Molecular StructureJinhua Gao, Yuanfang Tao, Jian Zhang, et al.
Science Advances|July 16, 2025
Gold clusters assembled homochiral helical microbowtiesShuai-Peng Chen, Jiajia Zhang, Qi-Xiang Cai, et al.
The Journal of Physical Chemistry. B|April 27, 2026
Multiscale Simulations Reveal Distal Allosteric Reprogramming of Pocket Dynamics and Dual Hydrolytic Pathways in Engineered Methyl Parathion HydrolaseXiaoyuan Liu, Yuzhuang Fu, Jun Yu, et al.
Journal of the American Chemical Society|June 5, 2024
Carborane-Cluster-Wrapped Copper Cluster with Cyclodextrin-like Cavities for Chiral RecognitionJia-Hong Huang, Ya-Jie Liu, Yubing Si, et al.
Physical Chemistry Chemical Physics : PCCP|December 19, 2019
Recognition of PDL1/L2 by different induced-fit mechanisms of PD1: a comparative study of molecular dynamics simulationsNan Lyu, Kai Wang, Fan Zhang, et al.
The Journal of Physical Chemistry. A|April 6, 2021
Unraveling the Mechanism of Near-Infrared Thermally Activated Delayed Fluorescence of TPA-Based Molecules: Effect of Hydrogen Bond Steric HindranceCan Leng, Sheng You, Yubing Si, et al.
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