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Transition state

Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation

Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Dmytro M. Hovorun

Mutations close to a hub residue affect the distant active site of a GH1 β-glucosidase

Valquiria P. Souza, Cecília M. Ikegami, Guilherme M. Arantes, Sandro R. Marana

Bacterial versus human thymidylate synthase: Kinetics and functionality

Zahidul Islam, Ilya Gurevic, [ ... ], Amnon Kohen

Thermal adaptation of mesophilic and thermophilic FtsZ assembly by modulation of the critical concentration

Luis Concha-Marambio, Paula Maldonado, [ ... ], Felipe Montecinos-Franjola

Defining and characterizing the critical transition state prior to the type 2 diabetes disease

Bo Jin, Rui Liu, [ ... ], Xuefeng B. Ling

Computational explanation for bioactivation mechanism of targeted anticancer agents mediated by cytochrome P450s: A case of Erlotinib

Chun-Zhi Ai, Yong Liu, [ ... ], Yi-Zhou Jiang

Differential Assembly of Catalytic Interactions within the Conserved Active Sites of Two Ribozymes

Sabine N. S. van Schie, Raghuvir N. Sengupta, Daniel Herschlag

Selection for Protein Kinetic Stability Connects Denaturation Temperatures to Organismal Temperatures and Provides Clues to Archaean Life

M. Luisa Romero-Romero, Valeria A. Risso, [ ... ], Jose M. Sanchez-Ruiz

Use of an Improved Matching Algorithm to Select Scaffolds for Enzyme Design Based on a Complex Active Site Model

Xiaoqiang Huang, Jing Xue, Min Lin, Yushan Zhu

Why p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B Binding

Angélica Fierro, Dale E. Edmondson, [ ... ], Gerald Zapata-Torres

Determinants of Cofactor Specificity for the Glucose-6-Phosphate Dehydrogenase from Escherichia coli: Simulation, Kinetics and Evolutionary Studies

Matias Fuentealba, Rodrigo Muñoz, [ ... ], Ricardo Cabrera

Geometrical Frustration in Interleukin-33 Decouples the Dynamics of the Functional Element from the Folding Transition State Ensemble

Kaitlin M. Fisher, Ellinor Haglund, [ ... ], Patricia A. Jennings

Picomolar Inhibition of Plasmepsin V, an Essential Malaria Protease, Achieved Exploiting the Prime Region

Luca Gambini, Luca Rizzi, [ ... ], Ilaria Russo

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