Holger Gohlke
Forschungszentrum Jülich(DE)Heinrich Heine University Düsseldorf(DE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Enzyme Structure and Function, RNA and protein synthesis mechanisms, Drug Transport and Resistance Mechanisms
Most-Cited Works
- → The Amber biomolecular simulation programs(2005)9,470 cited
- → MMPBSA.py: An Efficient Program for End-State Free Energy Calculations(2012)4,333 cited
- → AmberTools(2023)1,639 cited
- → Insights into Protein–Protein Binding by Binding Free Energy Calculation and Free Energy Decomposition for the Ras–Raf and Ras–RalGDS Complexes(2003)1,197 cited
- → Knowledge-based scoring function to predict protein-ligand interactions(2000)1,152 cited
- → Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method(2012)1,119 cited
- → Converging free energy estimates: MM‐PB(GB)SA studies on the protein–protein complex Ras–Raf(2003)