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Reaction dynamics

pKa Modulation of the Acid/Base Catalyst within GH32 and GH68: A Role in Substrate/Inhibitor Specificity?

Shuguang Yuan, Katrien Le Roy, [ ... ], Marc De Maeyer

Modelling Population Dynamics in Realistic Landscapes with Linear Elements: A Mechanistic-Statistical Reaction-Diffusion Approach

Lionel Roques, Olivier Bonnefon

OptZyme: Computational Enzyme Redesign Using Transition State Analogues

Matthew J. Grisewood, Nathanael P. Gifford, [ ... ], Costas D. Maranas

The Goldbeter-Koshland Switch in the First-Order Region and Its Response to Dynamic Disorder

Jianhua Xing, Jing Chen

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

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

Molecular Dynamics Simulation of Phosphorylated KID Post-Translational Modification

Hai-Feng Chen

Comparison and Analysis of Zinc and Cobalt-Based Systems as Catalytic Entities for the Hydration of Carbon Dioxide

Edmond Y. Lau, Sergio E. Wong, [ ... ], Felice C. Lightstone

Chemical Mechanism of UDP-Galactopyranose Mutase from Trypanosoma cruzi: A Potential Drug Target against Chagas' Disease

Michelle Oppenheimer, Ana Lisa Valenciano, [ ... ], Pablo Sobrado

Insights into the Mechanism of Bovine CD38/NAD+Glycohydrolase from the X-Ray Structures of Its Michaelis Complex and Covalently-Trapped Intermediates

Pascal F. Egea, Hélène Muller-Steffner, [ ... ], Francis Schuber

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

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

Graph-theoretical analysis for energy landscape reveals the organization of state transitions in the resting-state human cerebral cortex

Jiyoung Kang, Chongwon Pae, Hae-Jeong Park

Startle Auditory Stimuli Enhance the Performance of Fast Dynamic Contractions

Miguel Fernandez-Del-Olmo, Dan Río-Rodríguez, Eliseo Iglesias-Soler, Rafael M. Acero

A Grafting Strategy for the Design of Improved G-Quadruplex Aptamers and High-Activity DNAzymes

Tao Li, Erkang Wang, Shaojun Dong

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