Under the Surface Podcast – Details, episodes & analysis

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Under the Surface Podcast

CCG | Chemical Computing Group Podcast

Science

Technology

Frequency: 1 episode/68d. Total Eps: 18

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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https://www.linkedin.com/company/chemical-computing-group/
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https://www.linkedin.com/in/collaborativediscovery/
2 shares
https://www.linkedin.com/in/woodysherman/
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https://twitter.com/CCG_MOE/
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Score global : 57%

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Unfiltered Leadership with Erin Davis

Season 1 · Episode 13

Tuesday, November 18, 2025 • Duration 01:15:50

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

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

Season 1 · Episode 12

Tuesday, August 26, 2025 • Duration 46:14

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.

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Instructions for a Life in Science with Dr. Vanita Sood

Season 1 · Episode 3

Tuesday, November 28, 2023 • Duration 56:32

In episode 3, Instructions for a Life in Science, we talk to Dr. Vanita Sood about her experiences as a drug hunter. Vanita candidly shares her career journey, reflecting back on the choices she made, the opportunities and challenges she navigated, and the transformational science she drove. She describes her recent transition from a large pharma company to a startup environment and the critical considerations she's had to deal with. Throughout we talk about AI in discovery, the science of serendipity, and Mary Oliver the naturist and poet. Vanita expounds the spirit of paying attention, being astonished, and sharing this enthusiasm with others.. Strap in folks.

Takeaways:

Dr. Vanita Sood has 15 years of experience in drug discovery.
AI in drug discovery has shifted from skepticism to enthusiasm.
Switching fields can provide new perspectives and opportunities.
Drug discovery requires teamwork and collaboration.
Building connections in academia can lead to industry opportunities.
The patient-centric approach drives drug discovery priorities.
Data generation for AI needs to be consistent and relevant.
Human insight is essential for interpreting complex biological data.
Exploring new chemical spaces is crucial for innovation.
Serendipity can lead to unexpected breakthroughs in research. Relying on machine learning for drug discovery raises concerns about data complexity.
The best drug discoveries often come from unexpected patterns in data.
Documentation in pharma is generally better than in academia, but still has gaps.
Machine learning models need interpretability to ensure reliability and understanding.
Transitioning from a large pharma environment to a startup presents unique learning opportunities.
Collaboration in the pharma industry fosters a collegial environment despite competitive pressures.
Terminated projects can provide valuable data for machine learning models.
Attention to detail is crucial in scientific discovery and data curation.
Balancing deep expertise with a general understanding of other disciplines is essential in drug discovery.

Fun with Pharmacophores

Season 1 · Episode 2

Tuesday, October 3, 2023 • Duration 28:27

Check out the next episode of our podcast, Under the Surface! In episode 2, Fun with Pharmacophores, we talk to Dr. Scott Rowland about pharmacophore-based techniques and their role in understanding receptor–ligand interactions, and ultimately, how they contribute to the design of new drugs.

Recently retired, following decades in the pharmaceutical industry, Scott tells us about his journey through the field and his deep appreciation for collaborative science. Scott hasn't completely hung up his abacus just yet though, and he tells us about his recent consultative adventures too! How have we managed to fit all of this in one episode? It's a mystery.

Takeaways:

Dr. Scott Rowland has over 20 years of experience in drug discovery.
Structure-based drug design is now widely accepted but still has untapped potential.
Collaboration between medicinal chemists and computational chemists is crucial for success.
3D structures provide valuable insights for drug design.
Team dynamics play a significant role in the drug discovery process.
Consulting allows for flexibility and creativity in biotech startups.
Pharmacophores are essential for understanding drug interactions.
The concept of pharmacophores is evolving and is not static.
Pharmacophore efficiency could be a new metric in drug design.
The future of drug discovery relies on collaboration and innovative thinking.

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Computers to Find Big Molecules with Dr. Sandeep Kumar

Season 1 · Episode 1

Tuesday, June 6, 2023 • Duration 28:53

In episode 1 of our yet-to-win award podcast, we talk to Dr. Sandeep Kumar, Distinguished Research Fellow in Biotherapeutics at Boehringer Ingelheim about how he uses computers to help develop and deliver biopharmaceuticals and his thoughts on the increasing importance of computational methods in drug discovery. It gets controversial at times, so, you know, just a warning on that.

See more:

Computational Antibody Discovery: State of the Art: https://www.antibodysociety.org/computational-antibody-discovery-state-of-the-art/

Takeaways:

Dr. Sandeep Kumar is driven by a desire to help patients.
Computational methods can revolutionize antibody discovery.
In silico antibody discovery can overcome traditional limitations.
AI can generate vast libraries of antibodies efficiently.
Medicine-like profiles can improve drug developability.
Collaboration between tech and biotech is essential.
Digital transformation is crucial for the pharmaceutical industry.
Data digitization is necessary for effective informatics systems.
Computational predictions need to be validated in the lab.
The future of drug discovery lies in integrating computation with experimentation.

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Introducing Under the Surface with Chemical Computing Group

Season 1

Tuesday, June 6, 2023 • Duration 11:19

What's this all about, you ask? In today's inaugural episode of our sure-to-be award-winning podcast, we'll cover the who, what, and why we decided to create this podcast. As well as preview industry topics we'll be covering in future episodes.

This is not your average science podcast - Welcome to Under the Surface.

For more information on Chemical Computing Group, head to: https://www.chemcomp.com/.

The podcast aims to share:

Insights from the field of drug discovery.
Computational chemistry is evolving with new technologies and AI.
There is a mix of hope and skepticism in the field.
Understanding the sociology behind software use is important.
Big pharma and small biotech have different approaches to innovation.
The history of CCG provides valuable context for current practices.
Structural information plays a crucial role in drug discovery.
The podcast will feature discussions with industry experts.
New technologies are often applied in innovative ways by smaller firms.
The future of drug discovery is promising with advancements in AI.

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Crystal Clear: Unveiling the Secrets of Crystallography and Drug Design

Season 1 · Episode 11

Tuesday, June 3, 2025 • Duration 01:18:01

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!

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The Passport to Knowledge and Discovery with Fernando Garces

Season 1 · Episode 10

Thursday, February 27, 2025 • Duration 01:04:12

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!

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Rebecca Swett on The Power of Automation in Drug Development

Season 1 · Episode 9

Thursday, December 19, 2024 • Duration 46:43

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 …

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The Molecular Assassin Dr. Arijit Basu

Season 1 · Episode 8

Tuesday, September 17, 2024 • Duration 42:49

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.

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Under the Surface Podcast – Details, episodes & analysis

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Under the Surface Podcast – Details, episodes & analysis

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