Protonate3D: Assignment of ionization states and hydrogen coordinates to macromolecular structures

por Labute, Paul
Publicado 2009

Assignment of protonation states and geometries to macromolecular structures using Unary Quadratic Optimization

por Labute, Paul
Publicado 2008

Training a Scoring Function for the Alignment of Small Molecules

por Chan, Shek Ling, Labute, Paul
Publicado 2010

Assessment of fully automated antibody homology modeling protocols in molecular operating environment

por Maier, Johannes K X, Labute, Paul
Publicado 2014

Variability in docking success rates due to dataset preparation

por Corbeil, Christopher R., Williams, Christopher I., Labute, Paul
Publicado 2012

Rationalisation and visualisation of non-bonded interactions

por Maginn, Stephen, Labute, Paul, Ajamian, Alain, Williams, Chris
Publicado 2013

A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies

por Truchon, Jean-François, Pettitt, B. Montgomery, Labute, Paul
Publicado 2014

Efficient mining of protein kinase structural data

por Maginn, Stephen, Henry, Andrew, Labute, Paul, Maier, Johannes, Thorsteinson, Nels
Publicado 2013

Pharmacophore annotation using extended Hückel theory

por Labute, Paul, Kossner, Markus, Ajamian, Alain, Santavy, Martin, Lin, Anna
Publicado 2014

Structure-based charge calculations for predicting isoelectric point, viscosity, clearance, and profiling antibody therapeutics

por Thorsteinson, Nels, Gunn, John R., Kelly, Kenneth, Long, Will, Labute, Paul
Publicado 2021