by XtalPi
Free energy perturbation (FEP) calculations for predicting drug-target binding affinity with high accuracy and speed.
Drug Discovery & Molecular Designby XtalPi
AI-driven molecular generation with R-group replacement, scaffold redesign, and de novo synthesis for drug discovery.
Drug Discovery & Molecular Designby XtalPi
AI and physics-based molecular design for small-molecule drug discovery, from hit identification through lead optimization.
Drug Discovery & Molecular Designby XtalPi
AI-driven antibody design and optimization for oncology and immunology therapeutics.
Drug Discovery & Molecular Design
by Nostrum Biodiscovery
AI and molecular modeling for multi-stage drug discovery, from target selection and hit finding through lead optimization and targeted protein degradation.
Drug Discovery & Molecular Designby Nostrum Biodiscovery
In silico protein evolution and molecular modeling to enhance enzyme properties, design multifunctional proteins, and discover optimized biocatalysts for industrial applications.
Drug Discovery & Molecular Designby Nostrum Biodiscovery
Structure prediction, molecular dynamics simulation, and free energy calculations for natural and synthetic nucleic acid therapeutics including ASOs, siRNAs, and mRNA.
Drug Discovery & Molecular Design
by Dassault Systèmes
Molecular modeling and simulation for drug discovery, from target identification to lead optimization.
Drug Discovery & Molecular Designby Dassault Systèmes
AI-driven small molecule design combining machine learning, cheminformatics, and structure-based modeling to accelerate lead optimization.
Drug Discovery & Molecular Designby Dassault Systèmes
Multi-scale modeling and simulation for predicting material properties from atomic and molecular structure across polymers, catalysts, metals, batteries, and more.
Drug Discovery & Molecular Design
by Eidogen-Sertanty
Structure-based drug discovery informatics for lead identification, optimization, and target prioritization across the druggable genome.
Drug Discovery & Molecular Design
by PlasmidStudio
AI-powered plasmid design from plain English descriptions, with automated validation, cloning strategy recommendations, and lab protocol generation.
Drug Discovery & Molecular Design
by Asimov
Model-guided genetic construct design and optimization for expression system development in biologics discovery.
Drug Discovery & Molecular Designby Asimov
Lentiviral production with engineered cell lines and model-guided DNA design to achieve high titers for therapeutic transgenes.
Drug Discovery & Molecular Designby Asimov
AAV payload design and manufacturing with stable, semi-stable, and transient production systems for gene therapy development.
Drug Discovery & Molecular Designby Asimov
AI-driven sequence optimization and experimental validation for RNA therapeutics, delivering high-confidence candidates in weeks.
Drug Discovery & Molecular Design
by Chemical Computing Group
Computer-aided molecular design for small molecules, peptides, and biologics with 3D visualization, structure-based design, and virtual screening.
Drug Discovery & Molecular Design
by ACD/Labs
Structure-based prediction of physicochemical properties including logP, logD, pKa, aqueous solubility, and boiling point for lead optimization and HTS screening.
Drug Discovery & Molecular Design
by SILCS
Fragment-based ligand design and binding site analysis for structure-based drug discovery.
Drug Discovery & Molecular Design
by First Ascent Biomedical
Drug response testing using patient-derived cancer cells and AI/ML to accelerate oncology drug development and de-risk clinical trials.
Drug Discovery & Molecular Design