Computational analysis of aspartic protease plasmepsin II complexed with EH58 inhibitor: a QM/MM MD study

Quantum Mechanical Methods for Drug Design

(2010) Ting Zhou et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

QM/MM Approaches in Medicinal Chemistry Research

(2010) Lochana Menikarachchi et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of HumanO-GlcNAcase: PUGNAc and NAG-Thiazoline

(2010) Jeronimo Lameira et al.   JOURNAL OF PHYSICAL CHEMISTRY B

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computer-Aided Design and Synthesis of Nonpeptidic Plasmepsin II and IV Inhibitors

(2008) Torsten Luksch et al.   ChemMedChem

Role of structural water molecule in HIV protease-inhibitor complexes: A QM/MM study

(2008) Cherumuttathu H. Suresh et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Quantum Mechanics/Molecular Mechanics Study of the Protein−Ligand Interaction of Two Potent Inhibitors of HumanO-GlcNAcase: PUGNAc and NAG-Thiazoline

(2008) Jeronimo Lameira et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Malária: aspectos históricos e quimioterapia

(2008) Tanos C. C. França et al.   QUIMICA NOVA

A Quantum Mechanic/Molecular Mechanic Study of the Wild-Type and N155S Mutant HIV-1 Integrase Complexed with Diketo Acid

(2007) Cláudio Nahum Alves et al.   BIOPHYSICAL JOURNAL