Explore the benefits of computationally-guided peptide design
Enumerate and ideate beyond initial natural peptides on a large scale
Explore mutation to standard and non-standard amino acids, custom backbone modifications, and a wide variety of cyclizations to create novel natural peptides or peptidomimetics with desired properties.
Explore conformational landscapes
Predict 3D structure, calculate relative binding free energies of structurally diverse conformations, and select the most plausible binding mode.
Predict key properties of peptides
Guide peptide discovery by facilitating the design and optimization of peptide structures with desired properties and the associated physicochemical characteristics, such as membrane permeability and solubility.
Understand peptide-target interactions
Employ specialized docking tools, molecular dynamics, and advanced free energy perturbation calculations to predict binding affinity, selectivity, thermostability, and pH-dependencies at accuracies approaching experimental level.
Learn more about the key computational technologies available to progress your research projects.
Comprehensive modeling platform for biologics discovery
A powerful and innovative solution for accurate protein structure prediction
Versatile, full-featured molecular modeling program
Industry-leading ligand-receptor docking solution
A state-of-the-art protein-protein docking program
High-performance free energy calculations for drug discovery
Software and services to meet your organizational needs
Deploy digital drug discovery workflows using a comprehensive and user-friendly platform for molecular modeling, design, and collaboration.
Leverage Schrödinger’s computational expertise and technology at scale to advance your projects through key stages in the drug discovery process.
Support & Training
Access expert support, educational materials, and training resources designed for both novice and experienced users.