Joannis Apostolakis
LMU Klinikum(DE)University of Cyprus(CY)Ludwig-Maximilians-Universität München(DE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Analytical Chemistry and Chromatography, Machine Learning in Materials Science
Most-Cited Works
- → Evaluation of a fast implicit solvent model for molecular dynamics simulations(2001)303 cited
- → Calculation of conformational transitions and barriers in solvated systems: Application to the alanine dipeptide in water(1999)219 cited
- → Exhaustive docking of molecular fragments with electrostatic solvation(1999)167 cited
- → Thermodynamics and Kinetics of Folding of Two Model Peptides Investigated by Molecular Dynamics Simulations(2000)143 cited
- → Continuum Electrostatic Energies of Macromolecules in Aqueous Solutions(1997)140 cited
- → Docking small ligands in flexible binding sites(1998)133 cited