Daan P. Geerke
Vrije Universiteit Amsterdam(NL)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Pharmacogenetics and Drug Metabolism, Spectroscopy and Quantum Chemical Studies, Advanced Chemical Physics Studies
Most-Cited Works
- → The GROMOS software for biomolecular simulation: GROMOS05(2005)649 cited
- → Biomolecular Modeling: Goals, Problems, Perspectives(2006)554 cited
- → Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane(2018)511 cited
- → GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories(2011)216 cited
- → Impaired bortezomib binding to mutant β5 subunit of the proteasome is the underlying basis for bortezomib resistance in leukemia cells(2011)171 cited
- → Charge Group Partitioning in Biomolecular Simulation(2013)162 cited
- → New functionalities in the GROMOS biomolecular simulation software(2011)109 cited
- → Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models(2006)109 cited
- → Prediction of Ligand Binding Affinity and Orientation of Xenoestrogens to the Estrogen Receptor by Molecular Dynamics Simulations and the Linear Interaction Energy Method(2004)104 cited
- → Polarisable force fields: what do they add in biomolecular simulations?(2020)101 cited