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  • Richie Singh

Update #1 from Richie

Richie is an IMMERSE Fellow part of the Spring 2024 Cohort.


Starting the fellowship at Schrödinger was amazing, I was given a company laptop where all my work will be done. The onboarding team showed the other fellows and I around the NYC HQ. I met with Dr. Katherine Bay at the end of the day to discuss what is expected of me as a Schrödinger fellow. Throughout week zero, I was introduced to the team where they explained what the company does and how they complete various tasks. I got to meet with my new hire buddy Eugene Hickey where we discussed the process on how someone can enter the field of drug discovery.


During this week we were assigned two modules on the HTVS course to complete. Both modules served as an introductory to the topic where the steps, cost, and efficiency were elaborated upon. I learned that HTVS can scan large-scale compound libraries quickly with a lower cost. Additionally, this method has various approaches for scientists to utilize such as Shape, Pharmacophore, Docking, and QSAR/ML (Quantitative structure-activity relationship/ Machine learning). With modules 1&2 done, I started module 3. During this module I learned about Target inspection and preparation, Sitemap, Watermap, and Mixed solvent molecular dynamics. The video tutorials showed me how to evaluate electron density using PrimeX by creating a map. The videos are very helpful by showing a clear workflow to follow. At the end of the module I was tasked to prepare and validate the 2OWB and 2RKU proteins, then screenshot the labeled hydration sites. The screenshot will be attached below.



Adjusting to this new environment was very easy, the team is very friendly and welcoming. My first meeting with my mentor Ben went very well. He was very open to helping me find future employment. He also helped me understand questions I had about employee life at Schrödinger. The office has so much to offer, such as a music room and gaming area. I’m very excited to see all the new things the fellows and I learn throughout this fellowship!

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