Alexander Böcker

Main Tasks and Responsibilities: • Managerial responsibilities of HTS facility • Project management of external research collaborations • Statistical analysis, trend visualization and SAR elucidation of HTS data • Design and analysis of molecular libraries • Maintenance and support of a program package for the analysis of HTS data • Structure-based design of HDAC inhibitors • Maintenance and support of an electronic lab notebook

• Establishment of chemoinformatic workflows • Development of uHTS analysis, H2L, F2L profiling • Establishment, evaluation and performance of virtual screening workflow processes • Design of web interfaces for chemists and biologists: Combined access to available compound repositories, targeted library design, prediction of physico-chemical and ADMET properties, SAR analysis • Development of validated QSAR models for the prediction of ADMET-PK properties using in-house data

• Development of a software package to analyze primary screening results of uHTS assays and to identify structure activity relationships in these data sets • Contribution to the design of small-molecule libraries • Participation in large-scale virtual screening project • Multivariate data analysis

Risk Management & Innovation Management

chemoinformatics

Bioinformatics, Computer Science, Biochemistry, Molecular Biology/Genetics