- Publication
- Feb 28, 2024
Structure-guided engineering of immunotherapies targeting TRBC1 and TRBC2 in T cell malignancies
Ferrari, et al. Nat Commun, 2024, 15, 1583- Publication
- Jul 3, 2023
Disulfide Bond Engineering of an Endoglucanase from Penicillium verruculosum to Improve Its Thermostability
Anna Bashirova, et al. Int J Mol Sci, 2023, 20(7), 1602- Publication
- Feb 16, 2023
A novel method for in silico assessment of Methionine oxidation risk in monoclonal antibodies: Improvement over the 2-shell model
Davide Tavella, et al. PLoS ONE, 2022, 17(12)- Publication
- May 2, 2022
A Descriptor Set for Quantitative Structure-Property Relationship Prediction in Biologics
Kannan Sankar, et al. Mol Inform, 2022- Publication
- May 2, 2022
Accurate Prediction of Protein Thermodynamic Stability Changes upon Residue Mutation using Free Energy Perturbation
Guido Scarabelli, et al. JMB, 2022, 434(2)- Publication
- Mar 16, 2020
Large-Scale In Vitro Functional Testing and Novel Variant Scoring via Protein Modeling Provide Insights Into Alkaline Phosphatase Activity in Hypophosphatasia
Del Angel, et al. Hum Mutat., 2020, DOI: 10.1002/humu.24010- Publication
- Feb 28, 2020
AggScore: Prediction of aggregation-prone regions in proteins based on the distribution of surface patches
Sankar, et al. Proteins, 2018, 86(11), 1147-1156- Publication
- Apr 25, 2019
Predicting mutations deleterious to function in beta-lactamase TEM1 using MM-GBSA
Negron, et al. PLoS ONE, 2019, 14(3), e0214015- Publication
- Feb 19, 2019
Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein-Protein Interfaces
Clark, et al. Journal of Molecular Biology, 2019- Publication
- Dec 17, 2015
Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1
Chrencik, et al. Cell, 2015, 161(7), 1633-1643- Publication
- Sep 8, 2015
Probing the ‘-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis
Guo, et al. Chem. Biol. Drug Des., 2010, 75, 348-359- Publication
- Sep 8, 2015
Applying physics-based scoring to calculate free energies of binding for single amino acid mutations in protein-protein complexes
Beard, et al. PLoS ONE, 2013, 8(12), e82849Case Studies
Events
- Jul 28th – Aug 1st, 2024
Biennial Conference on Chemical Education 2024
Schrödinger is excited to be participating in the Biennial Conference on Chemical Education 2024 taking place on July 28th – August 1st in Lexington, Kentucky.
- Aug 1, 2024
Schrödinger Pharmaceutical Formulation Day Japan 2024
製剤関連分野に焦点を当て、弊社のソリューションと応用事例の紹介セミナーを初開催します。
- Aug 4th-8th, 2024
8th International Conference on Vibrational Optical Activity
Schrödinger is excited to be participating in the 8th International Conference on Vibrational Optical Activity taking place on August 4th – 8th in Bochum, Germany.
Publications
- Publication
- Jun 21, 2024
Discovery of a novel mutant-selective epidermal growth factor receptor inhibitor using in silico enabled drug discovery platform
Igawa H, et al. ChemRxiv, 2024, Preprint- Publication
- Jun 19, 2024
Structures of synaptic vesicle protein 2A and 2B bound to anticonvulsants
Mittal A, et al. Nature Structural & Molecular Biology, 2024- Publication
- Apr 23, 2024
FEP augmentation as a means to solve data paucity problems for machine learning in chemical biology
Burger PB, et al. J. Chem. Inf. Model., 2024, 64(9), 3812–3825Webinars
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Empowering scientists with integrated AI/ML modeling for rapid molecular property predictions
In this webinar, we will present LiveDesign Learning, a new module in Schrödinger’s LiveDesign collaborative enterprise informatics platform, for training and deploying state-of-the-art AI/ML models with minimal manual intervention.
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