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Molecular structure

Computational Study of a Model System of Enzyme-Mediated [4+2] Cycloaddition Reaction

Evgeniy G. Gordeev, Valentine P. Ananikov

Optimal Ligand Descriptor for Pocket Recognition Based on the Beta-Shape

Jae-Kwan Kim, Chung-In Won, [ ... ], Deok-Soo Kim

Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220)

Julie A. Zorn, Qi Wang, [ ... ], John Kuriyan

Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation

Grace Mugumbate, Katherine A. Abrahams, [ ... ], Gurdyal S. Besra

Conjoined Use of EM and NMR in RNA Structure Refinement

Zhou Gong, Charles D. Schwieters, Chun Tang

Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study

Omar bin Shawkataly, Chin-Ping Goh, [ ... ], Mohd Mustaqim Rosli

Structural and Enzymatic Characterization of the Choline Kinase LicA from Streptococcus pneumoniae

Lei Wang, Yong-Liang Jiang, [ ... ], Yuxing Chen

Quantitative Structure-Property Relationship (QSPR) Modeling of Drug-Loaded Polymeric Micelles via Genetic Function Approximation

Wensheng Wu, Canyang Zhang, [ ... ], Lijuan Zhang

On the Role of Protein Disulfide Isomerase in the Retrograde Cell Transport of Secreted Phospholipases A₂

Jernej Oberčkal, Lidija Kovačič, [ ... ], Igor Križaj

Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening

Xuequan Wang, Meiling Lu, [ ... ], Xiaodong Cheng

Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels

Divya Kesters, Marijke Brams, [ ... ], Chris Ulens

An Improved Model for the hTERT Promoter Quadruplex

Jonathan B. Chaires, John O. Trent, [ ... ], Donald M. Miller

Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation

Julio Bacarizo, Sergio Martinez-Rodriguez, [ ... ], Ana Camara-Artigas

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