Enhance Macromolecule-Based Research

Determining the three-dimensional structure and properties of macromolecules, such as enzymes and antibodies, is a fundamental component to a wide range of research activities. For example, different conformations which arise from normal molecular dynamics or interactions with ligands or other proteins may reveal novel binding sites or provide clues as to its function. While thousands of molecules have had their structures resolved experimentally, obtaining high fidelity structural data remains a nontrivial process.

Simulation can augment physical experimentation by providing insight into macromolecular structure. Additionally, techniques such as homology modeling can help predict structural models for novel molecules, guiding therapeutic design and protein engineering efforts. BIOVIA Discovery Studio delivers a comprehensive portfolio of market leading, validated scientific tools, able to assist in every aspect of macromolecule-based research.


  • Perform multiple sequence searches using BLAST and PSI-BLAST against local or NCBI databases
  • For multiple chain proteins, simultaneously and independently perform multiple sequence alignments of each protein chain
  • Predict the transmembrane helices in transmembrane protein sequences
  • Predict sites prone to Post Translational Modifications (PTMs) using sequence-based motif searching

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Also Discover

Protocols for State-of-the-art Molecular Dynamics Simulations
Ligand- and Pharmacophore-based Design
De Novo Drug Design, Multi-Target Drug Design and Activity Profiling
Biotherapeutics and Antibody Modeling
A Rich Set of In Silico Tools to Support The Design of Biotherapeutics
Structure-based Design
Comprehensive, Scalable Portfolio of Scientific Tools to Support Structure-based and Fragment-based Design
QSAR, ADMET & Predictive Toxicology
Tools for Designing Therapeutics with Favorable Pharmacokinetic Properties and Safety Profiles
Free, Feature-Rich Molecular Visualizer
BIOVIA Discovery Studio
Comprehensive Modeling and Simulation for Life Sciences Research
Accelerate Innovation in Life Sciences Research and Development

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