Physical-Chemical Approach to Identify Local Structural Determinants of Molecular Mechanisms: Case Study of Antimalarial Drug Pyronaridine and Crystal-Growth Inhibition
Angela Medvedeva, Ksenia Kolomeisky, Anatoly B. Kolomeisky
The paper develops a physical-chemical framework to identify fragment-level structural determinants of molecular mechanisms, applying it to pyronaridine's crystal-growth inhibition and antimalarial activity.