The Schrödinger
Summer of Science
Series
The Schrödinger
Summer of Science
Series
Thanks to everyone who joined us for Schrödinger's Summer of Science Series 2020! We hope you found the talks and panel sessions informative and engaging. To find all of the recordings from this series please visit our Seminar Center and to see what's currently happening, check out the Events Center. We hope you'll join us for future online presentations and events!
Stream 1
SMALL-MOLECULE
DRUG DISCOVERY
Webinars
Topics include: FEP, Machine-learning, Quantum Mechanics
Poster Session
Live Q&A with Speakers on Fridays
Stream 2
MATERIALS SCIENCE
Webinars
Topics include: Polymers, ALD, Catalysis, Machine-learning
Poster Session
Live Q&A with Speakers on Fridays
Stream 3
BIOLOGICS
Webinars
Topics include: Antibody Design, Enzymes, Stability
Poster Session
Live Q&A with Speakers on Fridays
Full Agenda - The Schrödinger Summer of Science Series |
Small-Molecule Drug Discovery Stream
Materials Science Stream
Biologics Stream
Presented by Robert Abel
Accelerating the macrocycle pharmaceutical design pipeline in silico
Presented by Daniel Sindhikara
Presented by Andrea Browning
Presented by Gydo van Zundert
Presented by Mohammad Atif Faiz Afzal
Presented by Eliud Oloo
Presented by Lingle Wang
A DFT-based macro-pKa predictor for drug-like molecules, including tautomeric, conformational and stereochemical effects
Presented by Mark Watson
Presented by Thomas Mustard
Presented by Ed Miller
Dialing out off-target liabilities with Protein Residue Mutation FEP+ in an active drug discovery project
Presented by Jennifer Knight
Presented by Yuling An
Presented by Guido Scarabelli
Small-Molecule
Materials Science
Biologics
Presented by Art Bochevarov
Rapid binding site similarity determination on a GPGPU: Performance and challenges
Presented by John Shelley
Panel Discussion - Working Remotely as a Scientist
Presented by Yuling An,
Jennifer Chambers, & Jennifer Knight
Presented by Jeffrey Sanders
Panel Discussion - Working Remotely as a Scientist
Presented by Yuling An,
Jennifer Chambers, & Jennifer Knight
Presented by Yuling An,
Jennifer Chambers, & Jennifer Knight
Presented by Jennifer Knight
Ligand Designer - "Design your way"
Presented by Matt Repasky & Noeris Salam
Real-time collaborative design, modeling, and project management to accelerate Drug discovery
Presented by Erin Davis
Presented by Agustina Rodriguez-Granillo
Computational prediction of the intrinsic solubilities of drug-like molecules utilizing free energy perturbations
Presented by Olivia Pierce
Presented by Anand Chandrasekaran
Presented by Jianxin Duan
Binding pose generation approaches and their impact on FEP results
Presented by Daniel Cappel
Platformization of Molecular Design
Presented by Jörg Weiser
Presented by Vincent E. Elfving (Qu & Co)
Small-Molecule
Materials Science
Biologics
Presented by Thomas Steinbrecher
Learning the physical properties of organic molecules using graph-based models
Presented by Mohammad Atif Faiz Afzal
Enumeration as a computational strategy for automating the design of CVD and ALD precursors
Presented by Simon Elliott
Presented by Agustina Rodriguez-Granillo
Presented by Matt Repasky
Panel Discussion - AI and Deep Learning in Drug Discovery and Materials Science
Presented by Yuling An, Steve Jerome, Matt Repasky, & Tim Robertson
Presented by Shaun Kwak
Presented by Yuling An, Steve Jerome, Matt Repasky, & Tim Robertson
Presented by Steven Jerome
Presented by John Shelley
Presented by Johannes Maier
Small-Molecule
Materials Science
Biologics
Presented by Sathesh Bhat & Karl Leswing
Presented by William A. Goddard, III (Caltech)
Learning to Taste: Application of Deep Learning to Predict the Sweetness of Small Organic Molecules
Presented by Mohammad Atif Faiz Afzal
Presented by Eric Feyfant, Johannes Maier, & Eliud Oloo
Presented by Robert Abel, Erin Davis, Pat Lorton, & Jörg Weiser
PyMOL to Maestro: A Medicinal Chemist's Guide to Maestro and Beyond
Presented by Noeris Salam
Presented by Jeffrey Sanders
Panel Discussion - How is Platformization Disrupting Molecular Design?
Presented by Robert Abel, Erin Davis, Pat Lorton, & Jörg Weiser
Presented by Robert Abel, Erin Davis, Pat Lorton, & Jörg Weiser
Presented by Andrea Browning, Stephen Christensen, & Jeffrey Wiggins (Univ. of S. Miss.)
Presented by Eric Feyfant
Stream 1 |
Abel
Sindhikara
van Zundert
Wang
Watson
Miller
Knight
Bochevarov
Shelley
Jennifer Chambers
Jennifer Knight
Knight
& Noeris Salam
Davis
Rodriguez-Granillo
Pierce
Cappel
Erin Davis
H. Rachel Lagiakos
Wayne Tang
Steinbrecher
Repasky
Steve Jerome
Matt Repasky
Tim Robertson
Small-Molecules
& Karl Leswing
Erin Davis
Pat Lorton
Jörg Weiser
Stream 2 |
Browning
Faiz Afzal
Mustard
An
Jennifer Chambers
Jennifer Knight
Sanders
Chandrasekaran
Elfving (Qu & Co)
Faiz Afzal
Steve Jerome
Matt Repasky
Tim Robertson
Kwak
Small-Molecules
Shelley
(Caltech)
Faiz Afzal
Sanders
Erin Davis
Pat Lorton
Jörg Weiser
Stephen Christensen
Jeffrey Wiggins (Univ. of S. Miss.)
Stream 3 |
Oloo
Scarabelli
Jennifer Chambers
Jennifer Knight
Duan
Erin Davis
H. Rachel Lagiakos
Wayne Tang
Rodriguez-Granillo
Steve Jerome
Matt Repasky
Tim Robertson
Maier
Shelley
Johannes Maier
Eliud Oloo
Erin Davis
Pat Lorton
Jörg Weiser