- Publication
- Dec 17, 2023
Understanding the binding interaction mechanism of i-motif with fluorophores: A biophysical approach
Ibrahim, et al. Chemical Physics Impact, 2023, 7, 100370- Publication
- Nov 2, 2023
Chiral Sensing of Tryptophan Enantiomers Based on the Enzyme Mimics of β-Cyclodextrin-Modified Sulfur Quantum Dots
Jiang, et al. ACS Sensors, 2023, 8(11), 4264–4271- Publication
- Oct 9, 2023
Understanding the Effect of the Oil-to-Surfactant Ratio on Eugenol Oil-in-Water Nanoemulsions Using Experimental and Molecular Dynamics Investigations
Debraj, et al. Industrial & Engineering Chemistry Research, 2023, 62(41), 16766–16776- Publication
- Dec 11, 2023
Qualitative and quantitative contributions of intermolecular interactions, quantum chemical calculation, biological activity and visible-light driven photo catalysts studies of nickel complex of 4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Socha, et al. Inorganic Chemistry Communications, 2023, 158, 111540- Publication
- Sep 29, 2023
Linking Redox Characteristics to Dissolved Organic Matter Derived from Different Biowaste Composts: A Theoretical Modeling Approach Based on FT–ICR MS Analysis
Zhao, et al. Environmental Science & Technology, 2023, 57(40), 15076–15086- Publication
- Jan 15, 2024
Probing the photostability of avobenzone with N-acetylcysteine using UV spectroscopy, computational studies and integration into aloe vera gel
Sahoo, et al. Journal of Photochemistry and Photobiology A: Chemistry, 2024, 447, 115196- Publication
- Sep 7, 2023
Predicting Emission in Substituted N-Alkyl Carbazoles to Create New Mechanoluminescent Molecules
Malme, et al. Chemistry Select, 2023, 8(34), e202300508- Publication
- Aug 30, 2023
Formation of a Disulfide Bridge on the Resin during Solid-Phase Synthesis of Terlipressin: Influence of the Boc-Protected and Free N-Terminal Amino Group
Avdeev, et al. Organic Process Research & Development, 2023, 27(9), 1624–1630- Publication
- Aug 17, 2023
Intramolecular Cyclization of Alkynylheteroaromatic Substrates Bearing a Tethered Cyano Group: A Strategy for Accessing Fused Pyridoheterocycles
Kraemer, et al. The Journal of Organic Chemistry, 2023, 88(17), 12716–12726- Publication
- Aug 19, 2023
Antimicrobial FiteBac® K21 promotes antimicrobial Potency andwound healing
Bapat, et al. Heliyon, 2023, 9, 2405-8440- Publication
- Aug 7, 2023
Spectroscopic studies, antimicrobial activity, and computational investigations of hydrazone ligands endowed metal chelates
Arora, et al. Applied Organometallic Chemistry, 2023, 37(9), e7209- Publication
- Feb 7, 2023
Interactions of Catalytic Enzymes with n-Type Polymers for High-Performance Metabolite Sensors
Ohayon, et al. ACS Applied Materials & Interfaces, 2023, 15(7), 9726–9739Case 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
- Dec 17, 2023
Understanding the binding interaction mechanism of i-motif with fluorophores: A biophysical approach
Ibrahim, et al. Chemical Physics Impact, 2023, 7, 100370- Publication
- Nov 2, 2023
Chiral Sensing of Tryptophan Enantiomers Based on the Enzyme Mimics of β-Cyclodextrin-Modified Sulfur Quantum Dots
Jiang, et al. ACS Sensors, 2023, 8(11), 4264–4271- Publication
- Oct 9, 2023
Understanding the Effect of the Oil-to-Surfactant Ratio on Eugenol Oil-in-Water Nanoemulsions Using Experimental and Molecular Dynamics Investigations
Debraj, et al. Industrial & Engineering Chemistry Research, 2023, 62(41), 16766–16776Webinars
- Aug 7, 2024
Leveraging atomistic simulation, machine learning, and cloud-based collaborative ideation for display materials discovery
This webinar will explore the union of physics-based simulations, machine learning (ML), and cloud-native collaboration and informatics tools in revolutionizing R&D innovation for display materials.
- Jun 26, 2024
Electrodes, electrolytes & interfaces: Harnessing molecular simulation and machine learning for rapid advancements in battery materials development
Schrödinger is excited to be presenting in a webinar hosted by the Battery Technology Platform, taking place on June 26th.
- Jun 4, 2024
Schrödinger Materials Science Seminar Japan 2024
《無料Webセミナー》材料開発向けシミュレーション・ソフトウェアおよびマテリアルズ・インフォマティクスの活用事例を紹介。
White Papers
- Jul 12, 2024
From Molecules to Optics
In this white paper, we demonstrate the synergistic application of Schrödinger and Ansys predictive technologies to accelerate characterization, design and optimization of high-performing OLED materials and devices using a multi-scale multi-physics simulation approach.
- May 6, 2024
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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