| P01 | Ali Alizadeh
(Tehran) | Charge Configuration and its effect on Permeation through Carbon Nanotube | Abstract |
| P02 | Shailendra Asthana
(Cagliari) | Effects of point mutation on BVDV RdRp : An In-silico study | Abstract |
| P03 | Frank Beierlein
(Erlangen) | A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations | Abstract |
| P04 | Rok Borstnar
(Ljubljana) | Calculations of pKa and Free Energies of Complexes | Abstract |
| P05 | Alexander Bujotzek
(Berlin) | Designing molecular spacers for multivalent ligands by modeling and simulation methods | Abstract |
| P06 | Luca Carlino
(Halle) | Structure-Based Design of Histone Demethylase Inhibitors | Abstract |
| P07 | Anna Katharina Dehof
(Saarbruecken) | The Biochemical Algorithms Library (BALL) - Rapid Application Development in Structural Bioinformatics | Abstract |
| P08 | Nedjoua Drici
(Oran) | Insight into structural properties of NCp7 proximal zinc finger: long-range electrostatic interactions effect on molecular dynamic simulations | Abstract |
| P09 | Vedat Durmaz
(Berlin) | Multi-Mode Molecular Dynamics Simulation of the Chromatographic Elution Order of Hexabromocyclododecane Stereoisomers | Abstract |
| P10 | Julian Fuchs
(Innsbruck) | Shape and Dynamics of Transcription Factor Binding Sites | Abstract |
| P11 | Prashant Kumar Gupta
(Basel) | A molecular Dynamics study of water molecules with silica surface in chromatographic system | Abstract |
| P12 | Anselm Horn
(Erlangen) | Aminopyrazole β-sheet Ligands – Design and Binding to Aβ42 | Abstract |
| P13 | Jing Zhou
(Heidelberg) | Structural and functional regulation of the Focal adhesion kinase by mechanical force | Abstract |
| P14 | Christophe Jardin
(Erlangen) | Different sequence motifs of the Herpesvirus Tip protein mediate binding specificity for STAT transcription factors | Abstract |
| P15 | Kristin Kassler
(Erlangen) | A Murine CD4 Derived Peptide Scaffold to Intervene gp120-CD4 Interaction | Abstract |
| P16 | Simon Leis
(Garching) | Efficient Inclusion of Receptor Flexibility in grid-based Docking | Abstract |
| P17 | Igor Levandovskiy
(Kiev) | Revisiting the Diels-Alder reaction: origin of selectivity and stability of endo adducts | Abstract |
| P18 | Virginie Martiny
(Paris) | Probing small-molecule binding to sulfotransferases: an in silico protocol to predict metabolism and inhibition | Abstract |
| P19 | Heike Meiselbach
(Erlangen) | Effect of the SH3-SH2 domain linker sequence on the structure of Hck kinase | Abstract |
| P20 | Matthew Mills
(Manchester) | Intramolecular Polarisable Multipolar Electrostatics from a Machine Learning Method | Abstract |
| P21 | Sabine Christel Mueller
(Saarbruecken) | Distributed Collaborative Molecular Modelling | Abstract |
| P22 | Michaela Müller
(Lübeck) | Homology model of Abcc6 provides insight into the function of mutations causing cardiovascular phenotype | Abstract |
| P23 | Stefan Nickels
(Saarbruecken) | Realtime Real-Time Ray Tracing in Molecular Visualization | Abstract |
| P24 | Stefan Noha
(Innsbruck) | Development of a 3D pharmacophore model for inhibitors of NF-kB activation by combining structure-derived information and bias from a set of potent inhibitors | Abstract |
| P25 | Annalisa Nuccitelli
(Garching) | A structure-based approach to rationally design chimeric proteins for a broad-spectrum vaccine against Group B Streptococcus infections. | Abstract |
| P26 | Martin Pippel
(Merseburg) | ParaDockS - An Open Source Framework for Molecular Docking | Abstract |
| P27 | Kristyna Pluhackova
(Erlangen) | Structure prediction of antimicrobial peptide Melectin in membrane mimicking environment | Abstract |
| P28 | Susruta Samanta
(Bremen) | Interaction of Polyethylene Oxide and Polypropylene Oxide with Biological Interfaces | Abstract |
| P29 | Avik Sanyal
(Heidelberg) | Accurate charges for transition metals in Molecular Mechanics | Abstract |
| P30 | Sarah Schaefer
(Halle) | 3D QSAR of substrates of the human H+/amino acid transporter PAT1 | Abstract |
| P31 | Michael Scharfe
(Halle) | Discovery of novel inhibitors for mono-ADP-ribosylating toxins | Abstract |
| P32 | Sebastian Schenker
(Erlangen ) | Silicon cation catalyzed (3+2)-Cycloadditions: A DFT Study | Abstract |
| P33 | Sabine Schweizer
(Freising) | Structural Basis of Drug Resistance of Hepatitis C Virus Serine Protease Variants | Abstract |
| P34 | Dmitriy Sharapa
(Kiev) | Polysubstituted derivates of pentacyclo[6.3.0.02,6.03,10.05,9]undecane | Abstract |
| P35 | Inna Slynko
(Halle) | Homology Modeling and Docking Studies of PRK1 Kinase | Abstract |
| P36 | Andrea Strasser / Hans-Joachim Wittmann
(Regensburg) | Distinct interactions between the human adrenergic β2 receptor and Gαs - an in silico study | Abstract |
| P37 | Joachim Stump
(Erlangen) | Computational analysis of the conformational stability and receptor binding properties of glycoprotein D of herpes simplex virus-1 | Abstract |
| P38 | Jennifer Szczesny
(Halle) | The Catalytic Mechanisms of Sesquiterpene Formation in Zea Mays Prenylating Enzymes | Abstract |
| P39 | Ozlem Ulucan
(Saarbruecken) | The Role of PIF-Pocket in Modulation of PDK1 Dynamics | Abstract |
| P40 | Manisha Vekaria
(Cambridge) | Predicted surface structure and crystal growth mechanism of a natural zeolite | Abstract |
| P41 | Thibaut Very
(Vandoeuvre-lès-Nancy) | UV-VISIBLE spectra of ruthenium complexes in interaction with DNA | Abstract |
| P42 | Fredrick Robin Devadoss Victor Paul Raj
(Konstanz) | Analysis of Molecular Dynamics Simulation - For Small Polypeptides and Proteins | Abstract |
| P43 | Susanne von Grafenstein
(Innsbruck) | Molecular Dynamics Simulations of Neuraminidase - Subtype N1 | Abstract |
| P44 | Hannes Wallnoefer
(Innsbruck) | Water Molecules Control Protein Structure and Ligand Affinity to fXa | Abstract |
| P45 | Marcel Youmbi Foka
(Erlangen) | Comparative Study of two Classification Algorithms for the Prediction of Drug-induced Phospholipidosis | Abstract |
| P46 | Vasilina Zayats
(Nove Hrady) | Structure and functions of transient receptor potential channel TRPA1 | Abstract |
| P47 | Wang Zhi
(Cambridge) | P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Dataset | Abstract |
| P48 | Rasoul Nasiri
(Tehran) | Theoretical Studies on the Thermodynamics and Kinetics of the Lysine-Arginine Cross-Links Derived from α-Oxoaldehydes: A New Mechanism for Glucosepane Formation | Abstract |
| P49 | Daniele Narzi
(Erlangen) | Nanodynamics of MHC:Peptide Complexes: the key to understand function and disease association? | Abstract |
