The fast-growing body of experimental data on metalloenzymes and organometallic
compounds is fostering the exploitation of metal–ligand interactions for the design of new …

Biomolecular recognition can be stubborn; changes in the structures of associating
molecules, or the environments in which they associate, often yield compensating changes …

This manuscript presents the latest algorithmic and methodological developments to the
structure‐based design program DOCK 6.7 focused on an updated internal energy function …

The hydrophobic effect—a rationalization of the insolubility of nonpolar molecules in water—
is centrally important to biomolecular recognition. Despite extensive research devoted to the …

Biochar is being considered for environmental sustainability by the scientific community and
as a result is extensively investigated for various applications in agriculture, remediation and …

Glycans are well established to play important roles at various stages of infection and
disease, and ways to modulate these interactions have been sought as novel therapies. The …

Although the power conversion efficiency (PCE) of all-inorganic perovskite solar cells
(PSCs) have achieved great progress in recent years, poor stability is still the critical issue …

Fluorination is commonly employed to optimize bioactivity and pharmaco-kinetic properties
of drug candidates. Aliphatic fluorination often reduces the lipophilicity (log P), but …

Historical interpretations of the thermodynamics characterizing biomolecular recognition
have marginalized the role of water. An important (even, perhaps, dominant) contribution to …

The α-synucleinopathies constitute a subset of neurodegenerative disorders, of which
Parkinson's disease (PD) is the most common worldwide, characterized by the accumulation …