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Theoretical Studies on the Catalytic Mechanism and Substrate Diversity for Macrocyclization of Pikromycin Thioesterase

Theoretical Investigation of the Structural Characteristics in the Active State of Akt1 Kinase

Insight into Structural Characteristics of Protein-Substrate Interaction in Pimaricin Thioesterase

Hybrubins: Bipyrrole Tetramic Acids Obtained by Crosstalk between a Truncated Undecylprodigiosin Pathway and Heterologous Tetramic Acid Biosynthetic Genes

Features of S-nitrosylation based on statistical analysis and molecular dynamics simulation: cysteine acidity, surrounding basicity, steric hindrance and local flexibility

Engineering of lysine cyclodeaminase conformational dynamics for relieving substrate and product inhibitions in the biosynthesis of L-pipecolic acid

DNA gated photochromism and fluorescent switch in a thiazole orange modified diarylethene

Exploring the Desumoylation Process of SENP1: A Study Combined MD Simulations with QM/MM Calculations on SENP1-SUMO1-RanGAP1

Structural basis for the transcriptional repressor NicR2 in nicotine degradation from Pseudomonas

Theoretical Studies on the Mechanism, Enantioselectivity, and Axial Ligand Effect of a Ru(salen)-Catalyzed Asymmetric Cyclopropanation Reaction