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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

QM/MM MD and Free Energy Simulations of G9a-Like Protein (GLP) and Its Mutants: Understanding the Factors that Determine the Product Specificity

Yuzhuo Chu, Jianzhuang Yao, Hong Guo

Why Do Protein Folding Rates Correlate with Metrics of Native Topology?

Patrícia F. N. Faísca, Rui D. M. Travasso, Andrea Parisi, Antonio Rey

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

Roles of Protein Ubiquitination and Degradation Kinetics in Biological Oscillations

Lida Xu, Zhilin Qu

Confining Domains Lead to Reaction Bursts: Reaction Kinetics in the Plasma Membrane

Ziya Kalay, Takahiro K. Fujiwara, Akihiro Kusumi

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

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

Structure and Dynamics of the G121V Dihydrofolate Reductase Mutant: Lessons from a Transition-State Inhibitor Complex

Randall V. Mauldin, Paul J. Sapienza, Chad M. Petit, Andrew L. Lee

The Plasmodium falciparum Malaria M1 Alanyl Aminopeptidase (PfA-M1): Insights of Catalytic Mechanism and Function from MD Simulations

Peter M. Jones, Mark W. Robinson, John P. Dalton, Anthony M. George

Kinetic and Sequence-Structure-Function Analysis of Known LinA Variants with Different Hexachlorocyclohexane Isomers

Pooja Sharma, Rinku Pandey, [ ... ], Rup Lal

X-Ray Structure Reveals a New Class and Provides Insight into Evolution of Alkaline Phosphatases

Subhash C. Bihani, Amit Das, [ ... ], Madhusoodan V. Hosur

Rate-Independent Constructs for Chemical Computation

Phillip Senum, Marc Riedel

VX Hydrolysis by Human Serum Paraoxonase 1: A Comparison of Experimental and Computational Results

Matthew W. Peterson, Steven Z. Fairchild, [ ... ], Wenling E. Chang

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