Under the Surface Podcast

Hosted by CCG | Chemical Computing Group Podcast

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Mar 2026

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Under the Surface is Chemical Computing Group's podcast where science meets storytelling in the world of computer‑aided drug discovery. Each episode brings you inside the breakthroughs shaping modern computational chemistry — from molecular modeling and AI‑powered design to the personal journeys of the researchers driving innovation forward. Join pioneering scientists, industry leaders, and curious minds as we explore how in silico techniques accelerate discovery, transform workflows, and reveal the human side of scientific progress.

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17 recent

June 16, 2026Episode 161 hr 22 min

When Proteins Move: Woody Sherman on Computational Chemistry, Molecular Simulation, and the Future of AI in Drug Discovery

Check out the next episode of our podcast, Under the Surface. In episode 16, When Proteins Move: Woody Sherman on Computational Chemistry, Molecular Simulation, and the Future of AI in Drug Discovery, we chat with Woody Sherman, Chief Scientist at PsiThera, and a longtime leader in computational chemistry, about how he went from studying quantum polymers to shaping modern tools like Induced Fit Docking. Woody shares the moment that pulled him into protein simulations, his early exposure to AI at MIT, and how an internship at Biogen set him on the path to industry. He also reflects on his years at Schrödinger, building solutions, writing code, and learning how to solve real problems for scientists. Topics: How application scientists help connect research with real-world industry needs Woody's journey from university research to starting Silicon Therapeutics How tools like induced fit docking were created How drug discovery platforms have changed over time What's different between working in industry and in academia What's next for open molecular software and AI working together (02:05) Why mentorship matters for scientists (04:15) Woody's path through school and research (09:10) Shifting into custom molecular simulations (12:00) Going from the academic world to industry (15:00) Creating new tools for drug discovery at Schrodinger (22:10) Putting together a team of experts (26:15) Working together on drug design platforms (34:00) Leading application science teams around the world (41:45) Starting up Silicon Therapeutics (45:58) Progress in the development of the STING agonist medicine (49:00) Launching PsiThera (56:30) Focusing on inflammation and the immune system (60:15) Sharing science and data openly (69:00) How AI will shape the future of drug discovery (80:30) What Woody enjoys outside of work (82:20) Final thoughts and getting involved with the community Listener discretion is advised.

March 31, 2026Episode 151 hr 6 min

Fells' Elements of Success: A Periodic Journey

Check out the next episode of our podcast, Under the Surface! In episode 15, Fells' Elements of Success: A Periodic Journey, we immerse ourselves in the world of chemistry and career alchemy with James Fells. From his early days as a curious freshman to his role as an Associate Director, In Silico Discovery at Johnson & Johnson Innovative Medicine, James recounts his journey through the ups and downs of the scientific realm and the importance of guidance along the way. Hear how his childhood curiosity about Gargamel inspired his success, how he moved between academia and industry, and why his story stands out. We think this episode will really connect with you. Listener discretion is advised. (02:12) The story behind the early use of MOE software in 1999 (03:36) Childhood obsession with potions and how it sparks real science (07:00) Funding, scholarships, and the importance of independence (08:41) Making the leap from academia to industry: speed and culture shock (12:33) The value of humility, openness, and collaboration in pharma (16:15) Crafting winning fellowship applications and proactive networking (20:19) Transitioning from postdoc to industry: timing and strategy (24:17) How industry teams differ from academia in hierarchy and respect (37:33) The big cultural shifts moving from Merck to Johnson & Johnson (45:18) The importance of company culture, openness, and shared lessons learned (49:12) J&J's evolving approach to science, leadership, and opportunity (57:47) Reflections: What he'd do differently, advice for future scientists (62:03) If not in science, what would James do? Coach? Math teacher? (63:53) Final thoughts: Exploring opportunities, being adaptable, and following your curiosity Subscribe & listen to all episodes of our podcast: https://sites.libsyn.com/459216/underthesurface Follow us on LinkedIn & X

December 22, 2025Episode 1452 min

SVL: Santavy vs Labute - The HoliDAVE Edition

Welcome to the last episode of 2025 for our podcast, Under the Surface! In this episode, SVL: Santavy vs Labute - The HoliDAVE Edition, get cozy with this special holiday edition of "Under the Surface"! Chris Williams and Dave Thompson are here to share laughs, swap stories, and spread some cheer as they chat with CCG's always-jolly Principal Scientist, Martin Santavy. From the wild beginnings of programming to the everyday adventures of debugging, this episode takes you on a fun-filled ride through the world of computational chemistry. There's plenty of laughter, a sprinkle of science magic, and a whole lot of heart as we talk about the quirks of coding and the power of good communication. Whether you're a science fan or just love a great story, come join us—grab your favorite mug, settle in, and let's celebrate the season together! Listener discretion is advised. 03:45 The Journey to CCG: Early Days and Influences 10:02 The Development of SVL: A New Programming Language 14:56 Challenges and Innovations in Computational Chemistry 20:55 The Evolution of CCG and Its Market Position 22:23 Reflections on Missed Opportunities 24:25 The Evolution of Software in Chemistry 26:50 Navigating the Language of Chemistry 30:54 The Importance of Communication in Science 35:32 Debugging and Problem Solving 42:45 The Joy of Software Development 50:35 Passion for Science and Software Subscribe & listen to all episodes of our podcast: https://sites.libsyn.com/459216/underthesurface Follow us on LinkedIn & X

November 18, 2025Episode 131 hr 15 min

Unfiltered Leadership with Erin Davis

In episode 13, Unfiltered Leadership, we dive into the fascinating journey of Erin Davis, who proves that the path to becoming a CTO at X-Chem is paved with caffeine, coding, and a touch of chaos. Erin's story is a masterclass in creativity and resilience. Tune in for tales of tech debt, DNA-encoded libraries (DELs), questioning authority, and why she believes humans are just 'meat sacks' trying to make sense of it all. This episode is a delightful mix of humor, inspiration, perfect for anyone who loves a good science story with a side of laughter. This episode will leave you inspired and entertained! Listener discretion is advised. Subscribe & listen to all episodes of our podcast: https://bit.ly/3WQGPKY Follow us on LinkedIn & X

August 26, 2025Episode 1246 min

Never Mind the Woman Behind the Curtain with Dr. Sarah Witzke

In episode 12, Never Mind the Woman Behind the Curtain, we welcome Dr. Sarah Witzke, Senior Application Scientist at CCG, who spills the beans on the not-so-secret life of support scientists in drug discovery. Think of it as a behind-the-scenes tour as to why you shouldn't ignore the people behind the curtain. Sarah shares her multifaceted journey, hopping from academia to the industry, kind of like a superhero changing outfits—except her cape was probably a lab coat. She unpacks the art of juggling her responsibilities and her knack for customer interaction. Spoiler alert: building trust with clients is crucial, unless you want them to think you're just some mad scientist in a basement! They explore how remote work has flipped team communication on its head. You might think it's just a lot of Zoom calls and pajama pants, but there's more to it. Sarah reflects on her career path, her growth, and the ups and downs with impostor syndrome along the way. And to top it all off, she dishes out some golden advice for aspiring application scientists — hint: humility and adaptability are your BFFs. So, grab a snack and settle in for a fun and insightful chat that might just inspire you to embrace your inner scientist — or perhaps become one.

June 3, 2025Episode 111 hr 18 min

Crystal Clear: Unveiling the Secrets of Crystallography and Drug Design

In our next episode, we're joined by Jason Cole, a Senior Research Fellow at the Cambridge Crystallographic Data Center (CCDC). He shares his fascinating journey, starting from his childhood in Italy, where his love for science blossomed, all the way to his impressive career in computational chemistry and crystallography. We chat about what CCDC does in terms of gathering and sharing crystallographic data, the ups and downs of software development in this field, and why it's so crucial to validate docking software. Jason also highlights the importance of data standards, the philanthropic mission of CCDC, and what the future holds for drug discovery, particularly with the exciting possibilities of artificial intelligence (AI) and quantum computing. It's a great conversation packed with insights!

February 27, 2025Episode 101 hr 4 min

The Passport to Knowledge and Discovery with Fernando Garces

In our first episode of 2025, our hosts, Chris Williams and Dave Thompson, have the pleasure of speaking to Fernando Garces, CEO and co-founder of BioGlyph. Leading us from the sunny climes of Portugal through the tropical paradise that is London, on route to the West Coast of the US and A, Fernando shares his evolving love of science through the heights of academia, into industry, and now as CEO of a software company he co-founded to improve the modeling of complex multispecifics. Important questions are unpacked throughout - is London really a tropical paradise? How long can we keep milking podcast episode titles that take advantage of the homophonic property of pharma and farm? Oh, and we have another surprising guest answer to the 'Deschênes Dilemma'… It is not to quote G. K. Chesterton, a proper nailbiter!

December 19, 2024Episode 946 min

Rebecca Swett on The Power of Automation in Drug Development

In our final episode of 2024, host Chris Williams and guest co-host, Under the Surface Executive Producer and CCG Vice President, Alain Deschênes have a long overdue chat with computational drug discovery rock star Rebecca Swett. Rebecca shares her journey from her academic beginnings to her current role at X-Chem, via roles at Novartis, Vertex, and Relay. Rebecca's wide-ranging experience shines through as the conversation wends its way through cutting-edge computational chemistry covering machine learning, molecular dynamics, and DNA-encoded libraries. At the scale Rebecca works at, automation is key, so this topic comes up too. We're not going to lie; it's a lot. And, of course, there's more … Rebecca highlights the significance of allyship and representation for women in science, and the role of community (with a shout-out to the long-running BAGIM modeling forum). Also, in the inaugural asking of the 'Deschênes Dilemma,' we find out what Rebecca would be doing if she wasn't doing all of the above …

September 17, 2024Episode 842 min

The Molecular Assassin Dr. Arijit Basu

On episode 8 of Under the Surface, we're joined by The Molecular Assassin, Arijit Basu. Arijit describes his journey from India to the US via a transformative sabbatical in Israel. Landing in the Langer lab at MIT and then finding his industrial legs, Arijit turns to computational toxicology as a way to ensure that drug hunters enable the concept of Safety by Design as a core tenant for how they're navigating chemical space. He doesn't discuss how he got his cool nickname though, so if that's what you're after, you will be out of luck. This episode was recorded live in Montreal at our 2024 UGM.

August 22, 2024Episode 745 min

On Being The First [Second?] with Eric Larson

This next episode of Under the Surface has us speaking to crystallographer Eric Larson. In episode 7, as you'll hear, Eric's a little nervous about having his thoughts committed to 'perpetuity.' But, as you'll also hear, he does a great job. As our first second structural biologist on the show, he tells us about how he got into the field, the very real logistical challenges of working in industry, and his evocative description of what it feels like to peek 'behind the veil' and be the first on the planet to observe the structure of a previously unknown protein. It's a magical episode This episode was recorded live in Montreal at our 2024 UGM.

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