computational chemistry

Atelier Therapeutics is a biopharmaceutical company dedicated to advancing human health through innovative approaches, with a primary focus on under-explored GPCR drug targets. Leveraging expertise in structural biology, computational chemistry, and machine learning, the team develops differentiated therapies addressing major unmet medical needs, focused on reducing chronic inflammation and enhancing neuronal function to promote vitality and longevity.

drug discoverymachine learningstructural biology

BioAscent is a provider of integrated drug discovery services based at the former Organon/MSD R&D site in Newhouse, Scotland, UK. Founded in 2013, its services include assay development, target analysis, compound screening, medicinal and synthetic chemistry, computational chemistry, DMPK, protein science and compound management, with access to in-house diversity and fragment libraries.

assay developmentbiophysicscompound managementcompound screeningcompound storage and logisticsDMPKhigh throughput screeningin silico discoveryLC-MSliquid handlingmedicinal chemistryNMRprotein productionpurificationstructural biologysurface plasmon resonancesynthetic chemistry

Broad Capabilities. Boutique Services. Every program deserves a partner, not just a provider. We built Bio Duro to be exactly the right size: broad enough to support your science at every stage, agile enough to move when you need to move, and focused enough to treat your program like the priority it is. Explore Our Capabilities All Company News October 1, 2026 June 6, 2026 May 28, 2026 April 28, 2026 April 23, 2026 March 12, 2026 March 3, 2026 February 10, 2026 January 27, 2026 November 18, 2025 August 20, 2025 July 30, 2025 June 10, 2025 May 8, 2025 April 7, 2025 March 25, 2025 March 5, 2025 January 20, 2025 January 9, 2025 January 6, 2025 October 24, 2024 October 1, 2024 September 16, 2024 All Company News Deliver solutions using enabling technologies like AI enabled molecular design, high throughput screening, DNA-coded library, parallel synthesis. Explore Chemistry Most visited.

AI-assisted molecular designanalytical chemistryAPI manufacturingbioanalysisDMPKDNA-encoded library screeningdrug product manufacturingformulation developmenthigh throughput screeningin vitro assaysin vivo modelsmedicinal chemistryparallel synthesispeptide chemistryprocess R&DScale upsynthetic chemistrytoxicology

C-Star Solutions was established in 2005 to connect clients with their customers, driving product innovation, preventing stagnation, and encouraging growth. The company provides advanced technical solution engineering and critical thinking to solve customers' hardest problems, with a focus on supporting warfighters and intelligence data and analysis. Its corporate offices are in Gordonsville, Virginia.

computer visionhigh performance and cloud computingmachine learning algorithmsmodeling and simulationprogram managementremote sensing algorithm developmentSystems Engineeringtest and evaluation

Dayhoff Labs is a technology company that builds foundational AI models for chemistry and biochemistry, aiming to solve deep challenges ranging from catalysis and green synthesis to ab initio synthetic biology. The company uses frontier AI, computational chemistry and novel lab techniques to model and probe molecular complexity, with applications across pharmaceutical manufacture, agriculture, energy, industrial chemistry, biosensing and new forms of computation. It partners with labs worldwide and supports open science.

frontier AImodeling molecular networksnovel lab techniques

Entropy Maxima LLC was founded by Noel Carrascal in 2018 and is based in San Francisco. The company aims to accelerate the pace of discovery of new protein-based therapeutics and materials by developing new interpretations of established thermodynamic principles, viewing computational chemistry problems from the entropy maxima perspective.

antibody modellingfree energy calculationsmachine learningMMGBSAmolecular dynamics simulationsprotein-protein dockingsolvent models

INVENT Pharmaceuticals is a San Diego, CA-based company designing, discovering and developing novel small molecule therapeutics for complex chronic diseases, including cardiorenal, pulmonary, vascular, fibrotic and neurodegenerative diseases, neuroendocrine tumor, and neuropsychiatric disorders. It applies a precision drug design and discovery platform integrating medicinal chemistry, site-specific precision molecular modification, in vitro and in vivo pharmacology, and artificial intelligence.

AI-enabled discoveryin vitro and in vivo pharmacologymedicinal chemistryprecision drug designsite-specific precision molecular modificationstructure-based design and optimization of small moleculestranslational pharmacology

IRBM is a preclinical drug discovery organization based in Rome, Italy, conducting small molecule, peptide and antibody programs from target validation through to a preclinical candidate, either as a full integrated program or as a single capability for clients. Its scientists have contributed to three approved drugs and delivered more than thirty preclinical candidates to partners.

ADMEantibody phage displayassay developmentBioinformaticsbiophysical characterizationcompound managementDMPKfunctional genomicshigh-content screeninghigh throughput screeningin vivo pharmacologymedicinal chemistrymRNA displayNMRpeptide chemistrypeptide phage displayprotein productionstructural biologysynthetic chemistry