Ruibo Wu

发表

Molecular Dynamics Simulations Elucidate Conformational Dynamics Responsible for the Cyclization Reaction in TEAS

Fan Zhang, Ruibo Wu, Nanhao Chen, 2016, J. Chem. Inf. Model..

Effects of electron attachment on C5′O5′ and C1′N1 bond cleavages of pyrimidine nucleotides: A theoretical study

Ruibo Wu, Fei Xia, Hujun Xie, 2008, J. Comput. Chem..

Structure-Function Analysis of the Conserved Tyrosine and Diverse π-Stacking among Class I Histone Deacetylases: A QM (DFT)/MM MD Study

Ruibo Wu, Jingwei Zhou, Zhihong Liu, 2014, J. Chem. Inf. Model..

Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase

Wei Wu, Ruibo Wu, Xin Zhang, 2009, J. Comput. Chem..

TeroKit: A Database-Driven Web Server for Terpenome Research

Ruibo Wu, Xiaowen Tang, Fan Zhang, 2020, J. Chem. Inf. Model..

Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing

Ruibo Wu, Yu Wang, Jun Xu, 2013, J. Chem. Inf. Model..

Binding Kinetics versus Affinities in BRD4 Inhibition

Ruibo Wu, Jingwei Zhou, Zhihong Liu, 2015, J. Chem. Inf. Model..

QM/MM study of catalytic methyl transfer by the N5‐glutamine SAM‐dependent methyltransferase and its inhibition by the nitrogen analogue of coenzyme

Ruibo Wu, Zexing Cao, Ruibo Wu, 2008, J. Comput. Chem..

Exploring Chemical and Biological Space of Terpenoids

Ruibo Wu, Xiaowen Tang, Zhihong Liu, 2019, J. Chem. Inf. Model..

Residue-Orientation-Dependent Dynamics and Selectivity of Active Pocket in Microbe Class I Terpene Cyclases

Ruibo Wu, Jingwei Zhou, Fan Zhang, 2020, J. Chem. Inf. Model..

BioNavi-NP: Biosynthesis Navigator for Natural Products pdf

Ruibo Wu, Tao Zeng, Connor W. Coley, 2021, ArXiv.

Protonation-Triggered Carbon-Chain Elongation in Geranyl Pyrophosphate Synthase (GPPS)

Ruibo Wu, Yirong Mo, Ming Kuang, 2015 .

A Transferable Non-bonded Pairwise Force Field to Model Zinc Interactions in Metalloproteins.

Ruibo Wu, Zexing Cao, Yingkai Zhang, 2011, Journal of chemical theory and computation.

Proton-Shuttle-Assisted Heterolytic Carbon–Carbon Bond Cleavage and Formation

Ruibo Wu, Zexing Cao, Yirong Mo, 2015 .

Flexibility of Catalytic Zinc Coordination in Thermolysin and HDAC8: A Born-Oppenheimer ab initio QM/MM Molecular Dynamics Study.

Ruibo Wu, Zexing Cao, Yingkai Zhang, 2010, Journal of chemical theory and computation.

Mechanism of Assembling Isoprenoid Building Blocks 1. Elucidation of the Structural Motifs for Substrate Binding in Geranyl Pyrophosphate Synthase.

Ruibo Wu, Jun Xu, Ruibo Wu, 2014, Journal of chemical theory and computation.

Biosynthetic Mechanism of Lanosterol: Cyclization.

Ruibo Wu, Nanhao Chen, Shenglong Wang, 2015, Angewandte Chemie.

Concerted Cyclization of Lanosterol C-Ring and D-Ring Under Human Oxidosqualene Cyclase Catalysis: An ab Initio QM/MM MD Study.

Ruibo Wu, Nanhao Chen, Jun Xu, 2014, Journal of chemical theory and computation.

A QM/MM MD study of the pH-dependent ring-opening catalysis and lid motif flexibility in glucosamine 6-phosphate deaminase.

Ruibo Wu, Nanhao Chen, Zexing Cao, 2014, Physical chemistry chemical physics : PCCP.