PIPER

A state-of-the-art protein-protein docking program

PIPER

Understand and predict protein-protein interactions at the atomic level

PIPER is a well-validated protein-protein docking program based on a multi-staged approach and advanced numerical methods that generates reliable structures of protein-protein complexes. Based on docking code from the Vajda lab at Boston University, PIPER has a proven track record as an outstanding predictor of protein-protein complexes as judged by previous CAPRI (Critical Assessment of Prediction of Interactions) blind experiments.

Key Capabilities

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Easily set up  and run protein-protein docking computations using the intuitive biologics interface, BioLuminate
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Rapidly sample and score billions of relative orientations of interacting proteins using PIPER’s efficient Fast Fourier Transformation (FFT) approach, along with accurate pairwise potentials
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Increase the number of near-native conformations in the initial selection of poses relative to other FFT-based docking programs, while reducing the number of false positives 
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Improve results using specialized potentials optimized for specific classes of protein–protein complexes such as antibody-antigen and enzyme-inhibitor pairs
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Use experimental data to bias selection of the correct pose by applying a broad range of constraints, including attractive or repulsive biasing constraints or declare specific residues to be buried

Documentation & Tutorials

Get answers to common questions and learn best practices for using Schrödinger’s software.

Life Science Tutorial

Introduction to T-Cell Receptor Modeling with BioLuminate

Structure preparation, visualization and analysis of key interactions in the TCR-peptide-MHC complex.

Life Science Tutorial

Antibody Visualization and Modeling in BioLuminate

Visualize, build, and evaluate antibody models, analyze an antibody for various characteristics, dock an antigen to an antibody.

Related Products

Learn more about the related computational technologies available to progress your research projects.

FEP+

High-performance free energy calculations for drug discovery

BioLuminate

Comprehensive modeling platform for biologics discovery

Publications

Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.

Life Science Webinar

Chinese: Physics-based Design of Bifunctional Degraders, Virtual 基于物理理论设计的双功能降解剂,网络讲座录制

具有两个配体和一个 Linker 的双功能 分子能够结合E3连接酶与靶蛋白,从而促使靶蛋白降解。

Life Science Webinar

生物制药设计 | BioLuminate

本培训我们将演示BioLuminate生物制药设计工作流程,其中包括

Life Science Webinar

Antibody Humanization Guided by Computational Modeling

Life Science Webinar

Computational workflows for bifunctional degrader design

Life Science Publication

Performance and Its Limits in Rigid Body Protein-Protein Docking

Life Science Publication

Investigating Protein-Peptide Interactions Using the Schr’dinger Computational Suite

Life Science Publication

Selection of Nanobodies that Block the Enzymatic and Cytotoxic Activities of the Binary Clostridium Difficile Toxin CDT

Life Science Publication

Consensus Induced Fit Docking (cIFD): Methodology, validation, and application to the discovery of novel Crm1 inhibitors

Life Science Publication

The 4th meeting on the Critical Assessment of Predicted Interaction (CAPRI) held at the Mare Nostrum, Barcelona

Life Science Publication

DARS (Decoys As the Reference State) Potentials for Protein-Protein Docking

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.

Tutorials

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.