Modeling & Informatics Modeling & Informatics Protein Alignments protein structure & function analysis for biotechnology applications and novel drug target rationalization 191491038 Molecular Dynamics Simulations prediction of cell membrane interactions of peptides, proteins and small-molecule constructs; protein-protein interaction characterization; ligand induced-fit studies, etc. 191491039 Chemical Informatics molecular diversity and similarity analysis, chemical library profiling, QSAR, ADME/Tox prediction, etc. 191491040 Molecular Characterization physicochemical, topological, and reactive property calculations; both static and dynamic attributes; classical and quantum mechanical representations 191491041 Structure-Based Design ligand-flexible and receptor-flexible molecular docking via numerous different methods 191491042 Pharmacophore Characterization COMBINE and other molecular field analyses (comparable to CoMFA), plus novel in-house developed methods to perceive and rationalize SAR trends 191491043 Structural Biology prediction of static and dynamic attributes of proteins, nucleic acids and a diverse range on non-bioorganic compounds and polymers 191491044 Molecular Graphics publication and presentation quality 3D renderings using sophisticated modeling and ray-tracing software 191491512