Lars Boukharta

Combining Docking, Molecular Dynamics and the Linear Interaction Energy Method to Predict Binding Modes and Affinities for Non-nucleoside Inhibitors to HIV-1 Reverse Transcriptase

Jens Carlsson, Lars Boukharta, Johan Åqvist · Journal of Medicinal Chemistry · 2008 · 87 citations · Full text

Computational Prediction of Alanine Scanning and Ligand Binding Energetics in G-Protein Coupled Receptors

Lars Boukharta, Hugo Gutiérrez‐de‐Terán, Johan Åqvist · PLoS Computational Biology · 2014 · 66 citations · Full text

Molecular Biology, Protein Folding, Computational Prediction +17

Toward a Consensus Model of the hERG Potassium Channel

Anna Stary, Sören Wacker, Lars Boukharta et al. · ChemMedChem · 2010 · 63 citations

Biomolecular Structure Prediction, Herg Potassium Channels, Molecular Biology +17

Computer Simulations of Structure–Activity Relationships for hERG Channel Blockers

Lars Boukharta, Henrik Keränen, Anna Stary‐Weinzinger et al. · Biochemistry · 2011 · 43 citations · Full text

Predicting Binding Modes from Free Energy Calculations

Martin Nervall, Peter Hanspers, Jens Carlsson et al. · Journal of Medicinal Chemistry · 2008 · 37 citations · Full text

Crystal Structure, Molecular Biology, Computational Chemistry +19