A Comprehensive in vitro and in silico Assessment on Inhibition of CYP51B and Ergosterol Biosynthesis by Eugenol in Rhizopus oryzae

MEGA6: Molecular Evolutionary Genetics Analysis Version 6.0

Koichiro Tamura, Glen Stecher, Daniel S. Peterson et al. · Molecular Biology and Evolution · 2013 · 47.9K citations · Full text

Life Sciences, Bioinformatics, Evolutionary Biology +17

MEGA11: Molecular Evolutionary Genetics Analysis Version 11

Koichiro Tamura, Glen Stecher, Sudhir Kumar · Molecular Biology and Evolution · 2021 · 22.1K citations · Full text

Life Sciences, Bioinformatics, Evolutionary Biology +17

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 6K citations

Life Sciences, Biochemistry, Bioinformatics +14

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

Thomas A. Halgren, Robert B. Murphy, Richard A. Friesner et al. · Journal of Medicinal Chemistry · 2004 · 5.2K citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Calculating Structures and Free Energies of Complex Molecules:  Combining Molecular Mechanics and Continuum Models

Peter A. Kollman, Irina Massova, Carolina Reyes et al. · Accounts of Chemical Research · 2000 · 4.9K citations

Natural Sciences, Biochemistry, Biophysics +17