Drug Discovery & Molecular Design - software & AI news

Daily news on software, AI, and companies shaping drug discovery & molecular design.

Showing 284 results
Minimalist illustration of a neuron with a receptor

Jun 16, 2026

AI: Breaking barriers in CNS research

Advancements in artificial intelligence are revolutionizing drug design, particularly in central nervous system (CNS) research, according to David Del Bourgo, CEO of WhiteLab Genomics.Del Bourgo emphasizes a shift from traditional trial-and-error methods in drug development to a more engineered approach. By utilizing AI, WhiteLab identifies specific receptors unique to target cell types, ensuring these receptors are present on the cell surface. Their proprietary mapping technology leverages huma
A vial of RNAi drug compound on a lab table with a research notebook.

Jun 16, 2026

Does Alnylam’s Generative AI Pact With Inceptive Nucleics Redraw The R&D Bull Case For ALNY?

Alnylam Pharmaceuticals has entered a significant collaboration with Inceptive Nucleics, valued at up to $2 billion, to enhance its RNAi drug discovery processes using generative AI. This partnership includes an upfront investment of $30 million and access to advanced AI talent, potentially improving research productivity and expanding Alnylam's pipeline.The collaboration is poised to impact Alnylam's investment narrative, particularly concerning its R&D productivity and the breadth of its drug
A protein sample on a lab bench in a dimly lit laboratory

Jun 16, 2026

Merck Taps Protillion for AI Protein Design

Merck has entered into a significant collaboration with Protillion Biosciences to enhance its capabilities in AI-driven drug discovery.The partnership aims to leverage Protillion's advanced Prot-MaP technology, which is designed for large-scale data generation to facilitate protein design. This technology provides extensive, timely training datasets for AI applications, allowing for the analysis of vast protein libraries with high efficiency. By addressing common challenges such as model overfit
A minimalist illustration of a pill and a molecule in a dark color scheme.

Jun 16, 2026

SK Biopharm to Operate Independent Booth for Second Consecutive Year at BIO USA... Showcasing AI-Based Drug Development

SK Biopharm is set to showcase its AI-driven drug development strategies at the upcoming BIO USA 2026 event, aiming to foster collaborations with global pharmaceutical companies and investors.The company announced its participation in the Biotechnology Innovation Organization International Convention, taking place in San Diego from June 22 to 25. This year marks SK Biopharm's second consecutive independent booth at the event, strategically positioned in the ‘Digital Health and AI Zone,’ which fo
A bispecific antibody on a lab bench in a dimly lit laboratory

Jun 15, 2026

AI-Driven Bispecific Antibody Development Attracts $1+ Billion in Pharma Investments Amid Clinical Risk Mitigation Focus

Pharmaceutical investments in AI-driven bispecific antibody development are surging, with over $1 billion committed, reflecting a strategic shift towards mitigating clinical risks and enhancing manufacturing processes.Recent insights from BCC Research highlight the pivotal role of artificial intelligence in revolutionizing the development of bispecific antibodies. As pharmaceutical companies face increasing challenges in clinical trials and manufacturing, AI technologies are being harnessed to i
Minimalist illustration of a bispecific antibody silhouette

Jun 15, 2026

Pharma's New Playbook: AI's Billion-Dollar Bet on De-Risking Medicine

The pharmaceutical industry is undergoing a significant transformation, driven by the integration of artificial intelligence (AI) into drug development processes. This shift aims to address the high failure rates and immense costs associated with traditional research and development (R&D) methods.Recent findings from BCC Research reveal that major pharmaceutical companies, including Takeda and Sanofi, are investing over $1 billion to leverage AI in developing bispecific antibodies. These complex
Minimalist illustration of a GPCR and small molecule drug

Jun 14, 2026

XtalPi Biopharma GPCR Pact Tests AI Drug Discovery And Revenue Potential

XtalPi Holdings has announced a significant partnership with a global biopharma firm aimed at developing oral small molecule drugs that target complex G protein-coupled receptors (GPCRs). This collaboration leverages XtalPi's advanced AI and quantum physics platforms, alongside automated laboratories, to address challenges in GPCR drug discovery.The partnership is valued at over $400 million, indicating a substantial commercial opportunity for XtalPi's innovative technology. Despite recent fluct
A molecular model in a dimly lit lab setting, emphasizing the intersection of AI and drug development.

Jun 12, 2026

Smart Money Bets Big on AI in Pharma

Investors are increasingly turning their attention to healthcare technology, particularly in the pharmaceutical sector, where machine learning is transforming drug development timelines from decades to just months. This shift is prompting a significant reallocation of capital towards biotech firms that leverage computational techniques, as traditional drug discovery methods become less viable.Machine learning technologies are enabling laboratories to predict molecular behaviors with remarkable a
Minimalist illustration of a drug compound

Jun 12, 2026

MindWalk (NASDAQ: HYFT) CEO Dr. Jennifer Bath to Join Absci (NASDAQ: ABSI) and a Leading AI Compute Provider on Jones AI Day Panel on the Future of AI Drug Discovery

Dr. Jennifer Bath, CEO of MindWalk, will participate in a virtual panel on AI-driven drug discovery, alongside Absci and a leading AI compute provider, during Jones AI Day on June 15, 2026.The panel, titled “Partnering to Power the New Era of Drug Discovery,” will delve into how advancements in high-performance computing and generative AI can overcome traditional obstacles in drug development. This includes addressing long screening timelines and tackling historically challenging targets. Modera
A molecular model on a lab bench with simulation data papers in a dimly lit laboratory.

Jun 12, 2026

AI model accelerates molecular simulations by 10,000-fold

A new AI framework, TITO, has been introduced, promising to revolutionize molecular simulations by accelerating them by up to 10,000 times. This advancement, published in *Science Advances*, leverages deep generative modeling to learn the statistical rules of molecular motion from existing simulation data.Traditional molecular dynamics simulations operate on a timescale of approximately one femtosecond, which leads to extensive computational demands for processes relevant to drug development. TI
A vial of a drug compound on a laboratory surface with notes and a beaker in the background.

Jun 11, 2026

Sygnature Discovery partners with DaltonTx to enhance AI-driven drug discovery capabilities

Sygnature Discovery has announced a strategic partnership with DaltonTx to bolster its AI-driven drug discovery capabilities, focusing on enhancing decision-making in medicinal chemistry while ensuring secure data management.DaltonTx leverages its Dalton platform, which merges drug discovery expertise with advanced software engineering and artificial intelligence. This platform integrates various data sources, computational models, and experimental outcomes into a cohesive learning system that s
A test tube filled with colorful liquid in a laboratory setting.

Jun 10, 2026

Build AI-Ready Pharma R&D to Accelerate Drug Development, Upcoming Webinar Hosted by Xtalks

A webinar hosted by Xtalks will delve into how AI and unified data platforms can enhance drug development in the pharmaceutical sector. The session aims to provide actionable insights for building an AI-ready infrastructure that fosters innovation while ensuring compliance.As the pharmaceutical industry faces increasing pressure to innovate rapidly and manage complex data landscapes, this webinar will highlight strategies used by leading organizations to integrate AI into their research and deve