Malaria is a leading cause of morbidity and mortality in the tropics. Chemotherapeutic and
vector control strategies have been applied for more than a century but have not been …

Transition state theory teaches that chemically stable mimics of enzymatic transition states
will bind tightly to their cognate enzymes. Kinetic isotope effects combined with …

Genome‐scale metabolic reconstructions can serve as important tools for hypothesis
generation and high‐throughput data integration. Here, we present a metabolic network …

An exhaustive description of the molecular recognition mechanism between a ligand and its
biological target is of great value because it provides the opportunity for an exogenous …

Interest in adenosine deaminase (ADA) in the context of medicine has mainly focused on its
enzymatic activity. This is justified by the importance of the reaction catalyzed by ADA not …

Privileged structures have been widely used as effective templates for drug discovery. While
benzo‐1, 4‐diazepine constitutes the first historical example of such a structure, the 1, 3 …

A key step in the development of new pharmaceutical drugs is the identification of the
molecular target and distinguishing this from all other gene products that respond indirectly …

Transition path sampling (TPS) is widely used for the calculations of reaction rates, transition
state structures, and reaction coordinates of condensed phase systems. Here we discuss a …

Background Malaria remains a major public health burden and resistance has emerged to
every antimalarial on the market, including the frontline drug, artemisinin. Our limited …

The innate immune recognition of the malaria-causing pathogen Plasmodium falciparum (P.
falciparum) is not fully explored. Here, we identify the nucleoside 5ʹ-methylthioinosine …