DiPhyx Stories

Modeling an RNA–Ligand Complex with Boltz-1

RNA aptamers are short nucleic acid sequences capable of binding to specific molecular targets with high affinity and selectivity. Among the most extensively studied of these is the theophylline aptamer—a 33-nucleotide RNA sequence that exhibits extraordinary specificity for the small molecule theophylline, distinguishing it from caffeine with over 10,000-fold selectivity, despite their near-identical structures. This makes the theophylline aptamer a compelling model for RNA-based recognition, biosensing, and molecular switch design.

Modeling an RNA–Ligand Complex with Boltz-1

Boltz-1

Boltz-1 is a state-of-the-art open-source model for predicting biomolecular structures, including combinations of proteins, RNA, DNA, covalent ligands, and glycans. It supports modified residues and allows conditioning on specific interaction pockets or contacts. Released under the MIT license, Boltz-1 is free for academic and commercial use.

What is erate in the LAMMPS Manual?

A Guide to Engineering Strain Rate

What is erate in the LAMMPS Manual?

JupyterLab vs. Notebook: Key Differences & Guide

Choosing the Right Tool for Your Data Science and Research Workflows

JupyterLab vs. Notebook: Key Differences & Guide

JupyterLab

Blog Posts about JupyterLab: Tutorials and Use Cases

JupyterLab

Volume Rendering in ParaView - DiPhyx Scientific Computing

The fundamentals of volume rendering in ParaView, practical steps and tips to help you effectively visualize your volumetric datasets.

Volume Rendering in ParaView - DiPhyx Scientific Computing

Data Probing in ParaView

How to effectively use ParaView's data probing tools to extract and analyze specific data points, lines, and surfaces within datasets

Data Probing in ParaView

Open Source VS Proprietary CFD Software

A concise comparison of open-source versus proprietary CFD software, highlighting key advantages, disadvantages, and examples.

Open Source VS Proprietary CFD Software

The Evolution of Cloud CFD and Its Benefits

Learn about the advantages of cloud-based CFD and how platforms like DiPhyx are making it easier to adopt this powerful tool.

The Evolution of Cloud CFD and Its Benefits

NGS Workflow Solution

Streamlining genomic research with robust NGS workflow solutions that automate, scale, and integrate bioinformatics tools

NGS Workflow Solution

Exploring LAMMPS Examples

A Deep Dive into Molecular Dynamics Simulations

Exploring LAMMPS Examples

LAMMPS

Blog Posts About LAMMPS Molecular Dynamics Simulator

LAMMPS

AMBER vs GROMACS

Comparing AMBER and GROMACS: Key strengths and best use cases for molecular dynamics simulations

AMBER vs GROMACS

Samtools Introduction

Mastering Samtools: A Comprehensive Guide

Samtools Introduction

Single-Cell Multiomics

How DiPhyx Can Help in Single-Cell Multiomic's Computational Pipelines

Single-Cell Multiomics

Navigating AMBER Force Fields

Comprehensive Guide to Using Amber Force Fields

Navigating AMBER Force Fields

IGV

Blog Posts about IGV

IGV

Guide to Loading Genomes in IGV

Explore how to load genome in IGV and how DiPhyx can optimize your IGV projects

Guide to Loading Genomes in IGV

Energy Minimization in AMBER

Understanding Amber Relaxation and Energy Minimization in AMBER: A Key Step in Molecular Dynamics

Energy Minimization in AMBER

LAMMPS Introduction

Introduction to LAMMPS: Basics and Applications

LAMMPS Introduction

GROMACS Replica Exchange

A Powerful Tool for Molecular Dynamics Simulations

GROMACS Replica Exchange

Simplifying Single-Cell Sequencing

Simplifying Biomedical Research with DiPhyx

Simplifying Single-Cell Sequencing

IGV Introduction

IGV (The Integrative Genomics Viewer): A Comprehensive Guide

IGV Introduction

Distributed Systems Introduction

Introduction to Distributed Computing

Distributed Systems Introduction