• Company
    • About us
    • Team
    • Corporate Sustainability
    • Careers
    • Locations
    • Press Releases
  • Platform
    • Overview
    • Products
      • Life Science Products
        • Maestro
        • Glide
        • FEP+
        • LiveDesign
        View All
      • Materials Science Products
        • MS Maestro
        • LiveDesign
        • Desmond
        • Jaguar
        View All
    • Support
        • Documentation
        • Knowledge Base
        • My Cases
        • Python API
        • Known Issues
        Contact Support
    • Download
  • Life Science
    • Overview
    • Solutions
      • Solutions Overview

        Explore how Schrödinger solutions can solve research challenges across drug discovery application areas

      • Small Molecule Discovery
        • Structure Prediction & Target Enablement
        • Hit Discovery
        • Hit-to-Lead & Lead Optimization
        • Drug Formulation
      • Mixed Modalities
        • Antibody Design
        • Peptide Discovery
        • Enzyme Engineering
        • Bifunctional Degraders
        • TCR Modeling
      • Key Products & Services
        • Maestro
        • LiveDesign
        • FEP+
        • BioLuminate
        • Modeling Services
        View All Products
    • Use Cases
      • Use Cases Overview

        Explore how teams can apply Schrödinger technology to accomplish their work across industries

      • By Team Function
        • Computational Chemistry
        • Medicinal Chemistry
        • Research IT
        • Structural Biology
      • By Industry
        • Academics
        • Biotech & Pharmaceutical
      • Morphic Therapeutic leverages digital chemistry strategy to design a novel small molecule inhibitor of α4β7 integrinCase Study
        Morphic Therapeutic leverages digital chemistry strategy to design a novel small molecule inhibitor of α4β7 integrin
        View All Case Studies
    • Resources
      • Resources
        • Case Studies
        • Documentation
        • Events
        • Training Videos
        • Publications
        • Quick Reference Sheets
        • Tutorials
        • Webinars
        • White Papers
        View All Resources
    • Education
      • Education
        • Overview
      • Online Certification Courses
        • Introduction to molecular modeling in drug discovery
        • Introduction to computational antibody engineering
        • Free energy calculations for drug design with FEP+
        View All Online Courses
      • Teaching with Schrödinger
        • How It Works
        • Lessons & Worksheets
        • FAQs
        View curricula
  • Materials Science
    • Overview
    • Solutions
      • Solutions Overview

        Explore how Schrödinger solutions can solve research challenges across materials science application areas

      • By Application
        • Polymeric Materials
        • Organic Electronics
        • Energy Capture & Storage
        • Thin Film Processing
        • Catalysis & Reactivity
        • Consumer Packaged Goods
        • Metals, Alloys, & Ceramics
        • Pharmaceutical Formulations & Delivery
      • Key Products & Services
        • MS Maestro
        • Desmond
        • Jaguar
        • LiveDesign
        • Services & Collaborations
        View All Products
    • Use Cases
      • Use Cases Overview

        Explore how teams can apply Schrödinger software to accomplish their work across industries

      • By Industry
        • Academics
        • Aerospace
        • Automotive
        • Biotech & Pharmaceuticals
        • Consumer Packaged Goods
        • Oil & Gas
        • Semiconductor
        • Specialty Chemicals
      • By Team Function
        • Computational Chemistry
        • Experimental Chemistry
        • Materials Engineering
        • Research IT
      • Molecular dynamics and coarse-grained simulations facilitate the design of new eco-friendly cosmetic formulationsCase Study
        Molecular dynamics and coarse-grained simulations facilitate the design of new eco-friendly cosmetic formulations
        View All Case Studies
    • Resources
      • Resources
        • Case Studies
        • Documentation
        • Events
        • Training Videos
        • Publications
        • Quick Reference Sheets
        • Tutorials
        • Webinars
        • White Papers
        View All Resources
    • Education
      • Education
        • Overview
      • Online Certification Courses
        • Pharmaceutical formulations
        • Homogeneous catalysis and reactivity
        • Consumer packaged goods
        VIEW ALL ONLINE COURSES
      • Teaching with Schrödinger
        • How it Works
        • Lessons & Worksheets
        • FAQs
        View curricula
  • Pipeline
    • Overview
    • Clinical Programs
      • Proprietary Pipeline Highlights
        • SGR-1505 (MALT1)SGR-1505 is a mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) inhibitor.
        • SGR-3515 (Wee1/Myt1)SGR-3515 is a Wee1/Myt1 inhibitor.
      • Schrödinger Receives Fast Track Designation for SGR-1505 for the Treatment of Relapsed/Refractory Waldenström Macroglobulinemia
        Schrödinger Receives Fast Track Designation for SGR-1505 for the Treatment of Relapsed/Refractory Waldenström Macroglobulinemia
        Schrödinger Reports Encouraging Initial Phase 1 Clinical Data for SGR-1505 at EHA Annual Congress
        Schrödinger Reports Encouraging Initial Phase 1 Clinical Data for SGR-1505 at EHA Annual Congress
  • Investors
My AccountLogoutMy Account
PaymentLogout
Login
Contact Us

Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Organic ElectronicsLeave a Comment on Charge Delocalization and Enhanced Acidity in Tricationic Superelectrophiles

A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR: Application to a Set of 4-aminopyridine Thrombin Inhibitors

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Hit DiscoveryLeave a Comment on A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR: Application to a Set of 4-aminopyridine Thrombin Inhibitors

IDSite: An Accurate Approach to Predict P450-Mediated Drug Metabolism

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on IDSite: An Accurate Approach to Predict P450-Mediated Drug Metabolism

Improved Treatment of Cyclic Beta-Amino Acids and Successful Prediction of Beta-Peptide Secondary Structure using a Modified Force Field: AMBER*C

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Improved Treatment of Cyclic Beta-Amino Acids and Successful Prediction of Beta-Peptide Secondary Structure using a Modified Force Field: AMBER*C

A Self-Assembled Cylindrical Capsule: New Supramolecular Phenomena Through Encapsulation

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Informatics and Team CollaborationLeave a Comment on A Self-Assembled Cylindrical Capsule: New Supramolecular Phenomena Through Encapsulation

Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Energy Capture & StorageLeave a Comment on Mechanism for Degradation of Nafion in PEM Fuel Cells from Quantum Mechanics Calculations

Stereoselective Deuterium Labeling of proR’-protons in the NMR Structure Determination of a Helix-Turn-Helix Turn Peptidomimetic

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Structure Prediction & Target EnablementLeave a Comment on Stereoselective Deuterium Labeling of proR’-protons in the NMR Structure Determination of a Helix-Turn-Helix Turn Peptidomimetic

Remarkable Stereospecific Conjugate Additions to the Hsp90 Inhibitor Celastrol

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Structure Prediction & Target EnablementLeave a Comment on Remarkable Stereospecific Conjugate Additions to the Hsp90 Inhibitor Celastrol

Design, Synthesis and Binding Properties of Novel and Selective 5-HT3 and 5-HT4 Receptor Ligands

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Design, Synthesis and Binding Properties of Novel and Selective 5-HT3 and 5-HT4 Receptor Ligands

Discovery of new inhibitors of Cdc25B dual specificity phosphatases by structure-based virtual screening

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Informatics and Team CollaborationLeave a Comment on Discovery of new inhibitors of Cdc25B dual specificity phosphatases by structure-based virtual screening

Design, Synthesis, and Solution Structure of a Pyrrolinone-Based ‘-Turn Peptidomimetic

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in UncategorizedLeave a Comment on Design, Synthesis, and Solution Structure of a Pyrrolinone-Based ‘-Turn Peptidomimetic

Electron-poor rhenium allenylidenes and their reactivity toward phosphines: A combined experimental and theoretical study

Posted on September 8, 2015December 13, 2024 by Anonymous
Posted in Catalysis & ReactivityLeave a Comment on Electron-poor rhenium allenylidenes and their reactivity toward phosphines: A combined experimental and theoretical study

Posts navigation

Older posts
Newer posts

Ready to release the power of digital chemistry?

Contact us
Schrödinger
  • Platform
  • Products
  • Life Science
  • Materials Science
  • Pipeline
  • Download
  • Company
  • Locations
  • Team
  • Education
  • Login or Create Account
    Logout
  • Contact Support
  • Contact Sales
  • Instagram
  • LinkedIn
  • Privacy Policy
  • Terms of use
  • EULA
  • Other Terms and Policies
Copyright © 2026 Schrödinger, Inc.