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June 4th, 2025
Mortaza give talk at Great Lakes Regional ACS Meeting titled "Enzyme Engineering for Sustainable Nylon Recycling"
June 3rd, 2025
Terra gives talk at MolSSI Challenges for Software Development in Enzyme Design and Engineering workshop titled "Dynamic Design with WESTPA Simulations and Rosetta"
May 30th, 2025
Daniel presents poster at the Midwest Theoretical Chemistry Conference titled "Weighted ensemble enhanced sampling for the elucidation of drug binding pathways"
April 1st, 2025
Sean begins new position as a Senior Scientist at EyeCRO, congratulations Sean!!
March 24th, 2025
Terra gives talk at ACS Spring Meeting titled "Physics-informed machine learning for computer-aided drug design"
March 17th, 2025
Terra gives invited talk at APS Global Physics Summit titled "Combining physics and machine learning for computer-aided drug design"
March 10th, 2025
Luxuan Wang joins the group as a first year PhD student. Welcome Luxuan!
February 26th - 28th, 2025
Ilea wins travel award to presents poster at RosettaCon "Design of Nylonase and SARS-CoV-2 Main Protease for Enhanced Degradation of Nylon"
February 4th, 2025
Sean's twins are born! Congratulations Sean!
January 11th, 2025
Ice skating at Yost:
January 9th, 2025
Malik Alabbas joins the group as an undergraduate researcher. Welcome Malik!
December 19th, 2024
Jay Smith joins the group as a PharmD volunteer researcher. Welcome Jay!
November 24th, 2024
Lab escape room trip:
October 25th, 2024
Terra gives seminar at Wayne State University "Combining physics and machine learning for computer-aided design"
October 10th, 2024
Terra gives DCMB Tools and technology seminar "Machine Learning Driven Simulations of SARS-CoV-2 Fitness Landscape"
September 25th, 2024
New preprint "Adaptation to high pressure; insights from the genome of an evolved Escherichia coli strain with increased piezotolerance" on bioRxiv
September 23rd, 2024
New preprint "Machine Learning Driven Simulations of SARS-CoV-2 Fitness Landscape" on bioRxiv
September 16th, 2024
Terra gives faculty research pitch at Michigan Data Science & AI (MIDAS) Weclcome back social
September 1st, 2024
Mortaza Derakhshani Molayousefi joins the group as a Senior Postdoc. Welcome Mortaza!
August 5th, 2024
Marissa presents poster at Summer RosettaCon "Strategies for DNA-Encoded Library Screening: BELKA Kaggle Challenge"
July 24th, 2024
Terra presents poster at CompChem GRC "Nirmatrelvir Binding Mechanism Informs Resistance and Reveals Druggable Mpro Sites"
July 8th - 12th, 2024
Marissa teaches Rossetta Code School
July 8th, 2024
Sztain Lab scores in the top 10% of NeurIPS 2024 - Predict New Medicines with BELKA Challenge
June 19th, 2024
Schuyler Byrn joins the group as an undergraduate researcher. Welcome Schuyler!
June 15th, 2024
Lab Kayaking!
June 3rd - 7th, 2024
Marissa teaches Rosetta Code School
May 10th, 2024
Jason accepts offer to PhD Program at UNC Division of Chemical Biology and Medicinal Chemistry in the School of Pharmacy. Congratulations Jason!
April 19th, 2024
Terra gives invited talk at ACS "Dynamics and AI guided molecular design"
March 28th, 2024
Marissa recieved DOE fellowship to fund their research leveraging simulated ultra-large bioactivity datasets to train chemical foundation models!!
March 6th, 2024
Daniel Santos Perez, Ileanexis Madera Cuevas, Yao Fu, and Marissa Dolorfino (co-advised by Matthew O’meara) join the lab as first year PhD students. Welcome!!!!
February 23rd, 2024
Medicinal Chemistry PhD Student Recruitment:
February 21st, 2024
Sztain Lab receives ACCESS EXPLORE allocation for the project "Exploring drug resistance mechanisms in SARS-CoV-2 main protease"
February 13th, 2024
Terra presents poster at BPS "Computer-Aided Biosynthetic Pathway Engineering"
February 9th, 2024
Jason presents at Michigan Molecular Modeling meeting "Exploring SARS-CoV-2 Main Protease Drug Binding Pathways with Weighted Ensemble MD Simulations"
January 19th, 2024
Ice skating at Yost:
January 12th, 2024
Terra presents Biophysics Department Seminar "Dynamics and computer-aided molecular design"
January 10th, 2024
Nazifa Kadir joins the group as an undergraduate researcher. Welcome Nazifa!
November 13th, 2023
Sean McCarty joins the group as a postdoctoral researcher. Welcome Sean!
October 10th, 2023
Hydrogen grand challenge kickoff
October 6th, 2023
Terra presents at Michigan Molecular Modeling Meeting "Dynamics and AI guided molecular design"
September 11th, 2023
Jason Lin joins the group as a postbaccalaureate researcher. Welcome Jason!
September 6th, 2023
Paper published: Sztain et al. "Interface Engineering of Carrier-Protein-Dependent Metabolic Pathways" ACS Chem Bio 2023, 18 (9), 2014–2022
September 1st, 2023
Lab inauguration!
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