- Publication
- May 17, 2023
Whole-cell mediated carboxylation of 2-Furoic Acid towards the production of renewable platform chemicals and biomaterials
Lopez-Lorenzo, et al. ChemCatChem, 2023, e202201482- Publication
- Sep 6, 2023
Drug aggregation of sparingly-soluble ionizable drugs: Molecular dynamics simulations of Papaverine and Prostaglandin F2α
Skrdla, et al. Mol Pharmaceutics, 2023, 20(10), 5135–5147- Publication
- May 23, 2023
Computational formulation study of insulin on biodegradable polymers
Devaraji, et al. RSV Adv, 2023, 13, 20282-20297- Publication
- Jul 29, 2023
A computational-based approach to fabricate Ceritinib co-amorphous system using a novel co-former Rutin for bioavailability enhancement
Yarlagadda, et al. Eur. J. Pharm. Biopharm., 2023, 190, 220-230- Publication
- May 11, 2022
Transfer learning Lithium and electrolyte potential energy surfaces from pure and hybrid DFT
Stevenson, et al. Open Review, 2022- Publication
- May 10, 2023
Machine learning force field ranking of candidate solid electrolyte interphase structures in Li-ion batteries
Stevenson, et al. Open Review, 2023- Publication
- Sep 6, 2023
Drug aggregation of sparingly-soluble ionizable drugs: Molecular dynamics simulations of Papaverine and Prostaglandin F2α
Skrdla, et al. 20(10), 2023, Mol Pharmaceutics, 5135–5147- Publication
- Feb 29, 2024
Coarse-grained simulation of mRNA-loaded lipid nanoparticle self-assembly
Grzetic, et al. Theoretical and Computational Chemistry, 2024, 1, Pre-print- Publication
- Mar 29, 2024
Calculating apparent pKa values of ionizable lipids in lipid nanoparticles
Hamilton, et al. Biological and Medicinal Chemistry, 2024, 2, Pre-print- Publication
- Mar 20, 2023
Computational prodrug design methodology for liposome formulability enhancement of small-molecule APIs
Balouch, et al. Mol. Pharmaceutics, 2023, 20(4), 2119–2127- Publication
- Mar 29, 2023
Toward a combined molecular dynamics and quantum mechanical approach to understanding solvent effects on chemical processes in the pharmaceutical industry: The case of a Lewis acid-mediated SNAr reaction
Tanoury, et al. Org. Process Res. Dev., 2023, 27(4), 742–754Latest insights from Extrapolations blog
Training & Resources
Online certification courses
Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.
Free learning resources
Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.
Other Resources