Case Studies, Concepts
Web App / Bioinformatics
Monoclonal Antibody Structures
Interactive, Template-Guided Platform for mABs (re)construction
Python
Modeller
Muscle
Django
CADD / Structural Discovery
Computer Aided Drug Design
Combining Computational Biology with Experimental Pharmacology and Medicinal Chemistry
Virtual Screening
Docking
ADMET profiling
CADD / Structural Discovery
Development of Nucleotide Analogs
Rational Design and Optimization of 6-thio-GTP Analogs
Ligand-Based Design
Conformational Search
DMPK
CADD / Structural Design
Discovery of Glucocorticoid Receptor Modulators
Dual-Pathway Targeting via Virtual Screening and Combinatorial Chemistry.
Structure-Based Design
Database Mining
Bioinformatics / Data Science
Monoclonal Antibody Analysis
Automated structural-domain composition profiling of mABs
Python
PDB
BLAST
HMMER
Systems Biology / Kinetics
Dynamics of IFN-γ Signaling
Equation-based simulation of immune regulation and macrophage activation pathways.
Kinetics Modeling
ODEs
OpenModelica
