Paul Labute
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Chemical Synthesis and Analysis, Enzyme Structure and Function, Crystallography and molecular interactions
Most-Cited Works
- → Protonate3D: Assignment of ionization states and hydrogen coordinates to macromolecular structures(2008)563 cited
- → The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area(2008)491 cited
- → Variability in docking success rates due to dataset preparation(2012)460 cited
- → A widely applicable set of descriptors(2000)417 cited
- → LowModeMD—Implicit Low-Mode Velocity Filtering Applied to Conformational Search of Macrocycles and Protein Loops(2010)332 cited
- → Flexible Alignment of Small Molecules(2001)192 cited
- → 2D Depiction of Protein−Ligand Complexes(2007)157 cited
- → A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies(2014)142 cited
- → Antibody modeling assessment(2011)129 cited
- → Binary Quantitative Structure−Activity Relationship (QSAR) Analysis of Estrogen Receptor Ligands(1998)96 cited