- Publication
- Aug 21, 2023
Structure and energetics of hydroxyl-terminated polybutadiene via density functional theory
Buszek, et al. Propellants, Explosives, Pyrotechnics, 2023, 48(9), e202300123- Publication
- Aug 11, 2023
Benzene Tetraamide: A covalent supramolecular dual motif in dynamic covalent polymer networks
Zhang, et al. Macromolecules, 2023, 56(16), 6452–6460- Publication
- Sep 22, 2023
Length-scale discrepancy in the properties of epoxy resin specimens
Laurikainen, et al. Polymer, 2023, 283, 126148- Publication
- Sep 11, 2023
Early cure analysis to inform direct ink writing of HTPB Polyurethane: Insights from spectroscopy, rheology, and molecular simulations
Strutton, et al. ACS Appl. Polym. Mater., 2023, 5(10), 8693–8703- Publication
- Aug 29, 2023
Probabilistic approach to low strain rate atomistic simulations of ultimate tensile strength of polymer crystals
Cobeña-Reyes, et al. J. Chem. Theory Comput., 2023, 19(18), 6326–6331- Publication
- Feb 15, 2023
Designed for circularity: Chemically recyclable and enzymatically degradable biorenewable Schiff Base polyester-imines
Subramaniyan, et al. ACS Sustainable Chem. Eng., 2023, 11(8), 3451–3465- Publication
- Mar 10, 2023
Kinetic characterization of a Lytic Polysaccharide Monooxygenase reveals a unique specificity for depolymerization at β-O-4 of lignin compounds
Bhatia, et al. ACS Sustainable Chem. Eng., 2023, 11(11), 4398–4408- Publication
- Oct 18, 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
- Dec 10, 2023
Investigation of drug-polymer miscibility and design of ternary solid dispersions for oral bioavailability enhancement by Hot Melt Extrusion
Pisay, et al. Journal of Drug Delivery Science and Technology, 2023, 90, 105107- Publication
- Sep 22, 2023
Molecular mechanisms involved in the chemical instability of ONC201 and methods to counter Its degradation in solution
Annereau, et al. pharmaceutics, 2023, 15(10), 2371- Publication
- Sep 20, 2023
Improvement of electrolytes for aluminum ion batteries: A molecular dynamics study
Kosar, et al. J. Chem. Phys., 2023, 159, 144503Case Studies
Events
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Purposeful simulation: Maximising impact in surface chemistry modelling
Schrödinger is excited to be hosting a webinar in collaboration with Chemistry World on November 12th at 8:00 AM EDT.
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- May 9, 2024
Microbial Biofilm Inhibition Using Magnetic Cross-Linked Polyphenol Oxidase Aggregates
Noori, et al. ACS Applied Bio Materials, 2024, 7(5), 3164-3178- Publication
- Feb 1, 2024
Stabilization of myoglobin from different species (produced by cellular agriculture) using food-grade natural and synthetic antioxidants
Chung, et al. Food Res Int, 2024, 178, 113965- Publication
- Jun 7, 2024
Nanoscale analysis of plastic contaminants migration in packaging materials and potential leaching into model food systems
Mileo, et al. Langmuir, 2024, 40(24), 12475-12487Webinars
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Purposeful simulation: Maximising impact in surface chemistry modelling
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Computationally-Guided Drug Formulation Webinar Series
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Webinar Series: From Molecules to Materials Applications
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From Molecules to Optics
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Closing the gap between material discovery and engineering design with multiscale simulation
This white paper presents a multiscale modeling framework for designing and characterizing fiberreinforced composites using technologies from Schrödinger and Ansys.
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