Binju Wang
Universidad de Barcelona
H-index: 33
Europe-Spain
Top articles of Binju Wang
Reshaping the QM Region On-the-Fly: Adaptive-Shape QM/MM Dynamic Simulations of a Hydrated Proton in Bulk Water
Journal of Chemical Theory and Computation
2024/4/26
Binju Wang
H-Index: 20
Hai Lin
H-Index: 10
Conformational Isomerization of the Fe (III)-OH Species Enables Selective Halogenation in Non-Heme Iron Halogenase BesD and Hydroxylase-Evolved Halogenase
2024/4/16
Enhancing Generalizability in Protein–Ligand Binding Affinity Prediction with Multimodal Contrastive Learning
Journal of Chemical Information and Modeling
2024/3/5
Unraveling the Catalytic Mechanism of Taxadiene-5α-hydroxylase from Crystallography and Computational Analyses
ACS Catalysis
2024/2/26
Qian Wang
H-Index: 10
Xiaoxi Zhu
H-Index: 5
Xiaonan Liu
H-Index: 5
Chao Shi
H-Index: 9
Binju Wang
H-Index: 20
A Smart Strategy for Photoresponsive Molecules: Utilizing Generative Pre-trained Transformer and TDDFT Calculations in Drug Delivery
2024/2/8
Flavin‐N5OOH Functions as both a Powerful Nucleophile and a Base in the Superfamily of Flavoenzymes
Angewandte Chemie International Edition
2024/2/1
DFT mechanistic study of biomimetic diiron complex catalyzed dehydrogenation: Unexpected Fe (III) Fe (III)-1, 1-μ-hydroperoxy active species for hydride abstraction
Journal of Inorganic Biochemistry
2024/2/1
Binju Wang
H-Index: 20
Tracking the delocalized proton in concerted proton transfer in bulk water
Journal of Chemical Theory and Computation
2023/1/11
Binju Wang
H-Index: 20
Hai Lin
H-Index: 10
[4Fe–4S]-Mediated Proton-Coupled Electron Transfer Enables the Efficient Degradation of Chloroalkenes by Reductive Dehalogenases
ACS Catalysis
2023/1/4
Flavin-N5OOH: A most powerful nucleophile and base in nature
2023
Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph
Physical Chemistry Chemical Physics
2023
Biocatalytic aminohydroxylation of styrenes for efficient synthesis of enantiopure β-amino alcohols
Chinese Journal of Catalysis
2023/1/1
Direct visible-light-excited flavoproteins for redox-neutral asymmetric radical hydroarylation
Nature Catalysis
2023/11
Preorganized Internal Electric Field Promotes a Double-Displacement Mechanism for the Adenine Excision Reaction by Adenine DNA Glycosylase
The Journal of Physical Chemistry B
2023/10/2
Binju Wang
H-Index: 20
Conformational Switch of the 250s Loop Enables the Efficient Transglycosylation in GH Family 77
Journal of Chemical Information and Modeling
2023/9/28
Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus
Nature Communications
2023/9/25
Reply to Correspondence on “Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1′′
Angewandte Chemie International Edition
2023/9/11
Binju Wang
H-Index: 20
Prediction of Protein‐Ligand Binding Affinity by a Hybrid Quantum‐Classical Deep Learning Algorithm
Advanced Quantum Technologies
2023/9
Design of red-emitting 1D zinc coordination polymer for targeted drug delivery to nucleus
Chemical Engineering Journal
2023/8/15
Precise regulation of the substrate selectivity of Baeyer-Villiger monooxygenase to minimize overoxidation of prazole sulfoxides
Chinese Journal of Catalysis
2023/8/1
Qianqian Chen
H-Index: 1
Qi Chen
H-Index: 9
Chen Zhao
H-Index: 18
Yan Zhang
H-Index: 11
Binju Wang
H-Index: 20
