Advanced Solutions for Medicinal Chemistry

Boosting MedChem Success: Schrödinger Solutions for ADMET Challenges

Dear Medicinal Chemists,

Ever found yourself struggling to predict brain permeation (Kp,uu), efflux, hERG inhibition, or CYP3A4 TDI in your projects? Take a break from your other obligations and let’s talk!

We are inviting you to join us in an interactive and free-of-charge session on Thursday, February 26th at our Mannheim Schrödinger Office for an extended version of our Lunch and Learn series where Schrödinger scientists will be diving deep into these crucial areas, bringing your practical solutions and expert insights, and demonstrating how modeling approaches can significantly help medicinal chemists make their projects more efficient and successful. You can either join for the whole event or solely for the presentation session.

Date & Time:

Thursday, February 26th, 2026

From 10:00 to 14:00 CET

Program:

+ Welcome Coffee
09:30 – 10:00

Interactive Session on Advanced Modeling Approaches in Medicinal Chemistry

10:00 – 12:30

David Papin, Principal Scientist II, Applications Science
Jonas Kaindl, Principal Scientist I, Applications Science

• Brain Penetration with Kp,uu: Strategy for predicting central nervous system (CNS) drug delivery.
• Efflux: Overcoming drug efflux mechanisms.
• Cyp3A4 TDI: Understanding and addressing CYP3A4 time-dependent inhibition.
• hERG: Mitigating hERG liability by using a quantum mechanics-based pKa calculation and a structure-based approach.

Our seminar will use the DLK story as a framework to explore the topics in detail throughout our session. Afterwards, lunch is served.

+ Lunch
12:30 – 14:00

Discussion & Networking

14:00 – open end

Join us in the afternoon for a Q&A and networking session with our Scientists and Account Managers, providing an opportunity to present your questions and challenges, which the Schrödinger team will endeavor to address.

Register today to secure your seat!

The seminar is free to attend but preregistration is required as seats are limited. Previous-experience with the Schrödinger suite is not required.