J. Apostolakis

发表

Inverse in silico screening for identification of kinase inhibitor targets.

L. Meijer, S. Zahler, S. Tietze, 2007, Chemistry & biology.

Continuum Electrostatic Energies of Macromolecules in Aqueous Solutions

J. Apostolakis, A. Caflisch, M. Scarsi, 1997 .

Evaluation of a fast implicit solvent model for molecular dynamics simulations

J. Apostolakis, A. Caflisch, P. Ferrara, 2002, Proteins.

Docking small ligands in flexible binding sites

Andreas Plückthun, Amedeo Caflisch, Joannis Apostolakis, 1998 .

Thomas Lengauer, J. Apostolakis, C. Thiele, 2007 .

Comparison of a GB Solvation Model with Explicit Solvent Simulations: Potentials of Mean Force and Conformational Preferences of Alanine Dipeptide and 1,2-Dichloroethane

J. Apostolakis, A. Caflisch, M. Scarsi, 1998 .

Hadronic Shower Shape Studies in Geant4 : Update

D. Wright, J. Apostolakis, A. Ribon, 2008 .

Exhaustive docking of molecular fragments with electrostatic solvation

J. Apostolakis, A. Caflisch, N. Majeux, 1999, Proteins.

Thermodynamics and Kinetics of Folding of Two Model Peptides Investigated by Molecular Dynamics Simulations

J. Apostolakis, A. Caflisch, P. Ferrara, 2000 .

Derivation of a scoring function for crystal structure prediction.

Thomas Lengauer, J. Apostolakis, D. Hofmann, 2001, Acta crystallographica. Section A, Foundations of crystallography.

Free Energy Computations on the Shift of the Special Pair Redox Potential: Mutants of the Reaction Center of Rhodobacter sphaeroides

J. Apostolakis, I. Muegge, E. Knapp, 1996 .

Shift of the special pair redox potential: electrostatic energy computations of mutants of the reaction center from Rhodobacter sphaeroides.

J. Apostolakis, I. Muegge, E. Knapp, 1996, Biochemistry.

Exact versus approximate string matching for protein name identication

R. Zimmer, J. Apostolakis, K. Fundel, 2004 .

Improved cyclodextrin-based receptors for camptothecin by inverse virtual screening.

Thomas Lengauer, Joannis Apostolakis, Andreas Steffen, 2007, Chemistry.

GEANT4 Physics Lists for HEP

D. Wright, J. Apostolakis, A. Ribon, 2008, 2008 IEEE Nuclear Science Symposium Conference Record.

Pretreatment and activation of a vanadium phosphate catalyst for butane oxidation to maleic anhydride

J. S. Buchanan, J. Apostolakis, S. Sundaresan, 1984 .

On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes

J. Apostolakis, Andreas Steffen, 2007, Chemistry Central journal.

Flavonoids affect actin functions in cytoplasm and nucleus.

S. Tietze, J. Apostolakis, K. Fahmy, 2007, Biophysical journal.

Crystal structure prediction by data mining

Thomas Lengauer, Joannis Apostolakis, Detlef W. M. Hofmann, 2002 .

Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies

Thomas Lengauer, Matthias Rarey, Joannis Apostolakis, 2006, J. Chem. Inf. Model..

Use of ion-selective electrodes in kinetic flow injection: determination of phenolic and hydrazino drugs with 1-fluoro-2,4-dinitrobenzene using a fluoride-selective electrode.

J. Apostolakis, M. Koupparis, C. Georgiou, 1991, The Analyst.

De Novo Drug Design Using Multiobjective Evolutionary Graphs

Constantinos S. Pattichis, Christos A. Nicolaou, Joannis Apostolakis, 2009, J. Chem. Inf. Model..

Docking small ligands in flexible binding sites

Amedeo Caflisch, Andreas Plückthun, Joannis Apostolakis, 1998, J. Comput. Chem..

An Introduction to Data Mining

Joannis Apostolakis, J. Apostolakis, 2009 .

Probabilistic methods for predicting protein functions in protein-protein interaction networks

Ralf Zimmer, Christoph Best, Joannis Apostolakis, 2005, q-bio/0503018.

Data Mining in crystallography

Joannis Apostolakis, Detlef W. M. Hofmann, Liudmila N. Kuleshova, 2010 .

Computational ligand design.

A Caflisch, J Apostolakis, J. Apostolakis, 1999, Combinatorial chemistry & high throughput screening.

Calculation of conformational transitions and barriers in solvated systems: Application to the alanine dipeptide in water

Amedeo Caflisch, Joannis Apostolakis, J. Apostolakis, 1999 .

Computer simulations of protein folding by targeted molecular dynamics

A Caflisch, J. Apostolakis, A. Caflisch, 2000, Proteins.

Targeted Molecular Dynamics Simulations of Protein Unfolding

Amedeo Caflisch, Joannis Apostolakis, J. Apostolakis, 2000 .

Automatic Determination of Reaction Mappings and Reaction Center Information. 2. Validation on a Biochemical Reaction Database

Johann Gasteiger, Oliver Sacher, Joannis Apostolakis, 2008, J. Chem. Inf. Model..

Automatic Determination of Reaction Mappings and Reaction Center Information. 1. The Imaginary Transition State Energy Approach

Joannis Apostolakis, Robert Körner, J. Apostolakis, 2008, J. Chem. Inf. Model..

A simple approach for protein name identification: prospects and limits

Ralf Zimmer, Joannis Apostolakis, Katrin Fundel, 2005, BMC Bioinformatics.

GlamDock: Development and Validation of a New Docking Tool on Several Thousand Protein-Ligand Complexes

Joannis Apostolakis, Simon Tietze, S. Tietze, 2007, J. Chem. Inf. Model..

On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes

J. Apostolakis, Andreas Steffen, 2007, Chemistry Central Journal.

Graph-Based Molecular Alignment (GMA)

Joannis Apostolakis, Jörn Marialke, Simon Tietze, 2007, J. Chem. Inf. Model..

An Introduction to Data Mining

J. Apostolakis, 2009 .

Similarity Based Docking

Joannis Apostolakis, Jörn Marialke, Simon Tietze, 2008, J. Chem. Inf. Model..