Artificial intelligence (AI)/machine learning (ML) methods can now predict the 3D folded structures of many proteins with surprising accuracy, potentially shortening the time from inspired ideas to actual medical treatments. What used to be a long and uncertain path to obtain the structures of targets for drug discovery can now be reduced significantly. These advances
Science & Innovation
Global health has never been more top of mind than it is now in the age of Covid-19. We are living through a rare moment when the investments and precautions taken by nations to protect their citizens’ health are daily present among our news headlines. But paradoxically, many of the most pressing global health challenges
The need to develop more sustainable food has steadily increased in importance over the past several years. One of the United Nation’s 17 Sustainable Development Goals is “Zero Hunger,” which the organization has determined can only be achieved through widespread food security, improved nutrition, and the promotion of sustainable food. As the world population increases
On January 14, 2021, Schrödinger acquired XTAL BioStructures, Inc., a private company based in the Greater Boston area that provides structural biology services, including biophysical methods, protein production and purification, and X-ray crystallography, to the pharmaceutical and biotechnology industries to enable structure-based drug discovery. XTAL was founded in 2005 by Robert Suto, Ph.D. We sat
When it comes to molecular modeling, experimental scientists typically face two major barriers: misperception and trust. The most common misperception is that molecular modeling requires significant coding expertise or a Ph.D. in computational chemistry or theoretical physics. With regard to trust, it can be hard for scientists to believe in technologies that they have not
Green energy. Plant-based materials. Clean water. Lighter aircraft. These are just a few examples of sustainable solutions that scientists are focused on to help improve the human condition. We sat down with Dr. Andrea Browning, a product manager on the materials science team at Schrödinger, to discuss how scientists are approaching these and many other
In early stage drug discovery, project teams share a common goal: to find an effective and selective clinical candidate as quickly as possible. That is certainly the goal at Galapagos, a commercial-stage European biotech specialized in the discovery and development of small molecule medicines with novel modes of action.
Schrödinger scientist Jeffrey Sanders recently sat down (virtually) with Evan Flach at the 3rd Food Innovation and Engineering (FOODIE) Conference that took place in November. Their conversation touched on the growing importance of chemical simulation in food engineering and how new technologies are leading to a renaissance in food innovation.
Imagine that the entire universe of “chemical space”—all the molecules that could ever possibly be created—is the size of an ocean. How much have we explored so far? Much less than a single drop of water.
As a Med Chemist at one of the largest pharmaceutical companies in the world, I was well aware of the advantages of using computational chemistry software to render models and visualize ligand binding to proteins...
Animated movies have served as a dominant form of my family’s entertainment for more than a decade, so we were thrilled with the recent release of “Toy Story 4”. Our list of favorites is long — but the original Toy Story holds a seminal place both in our family’s memory and in film history.
I was both inspired and humbled yesterday during The Boston Cancer Summit hosted by the Fred Hutch Cancer Center and Luke Timmerman. An impressive gathering of medical researchers, biopharma executives, policy experts, investors, and innovators congregated in the aptly named “Guiding Star” conference room at Alexion’s HQ in Boston’s Seaport District.
A picture is worth a thousand words. How does this long-standing idiom – popularized by early 19th century journalists and advertisers, and attributed to Confucius – apply to drug discovery and compound design? In structural biology, as in many fields, complexity can be simpler to understand when represented graphically.