NAMD
GROMACS
Molecular dynamics
A Comprehensive Comparison of GROMACS and NAMD for Biomolecular Simulations
Have you ever wondered how scientists and researchers are able to uncover the mysteries of molecules that are far too tiny...
Rational Drug Design
CADD
Understanding the Step-by-Step Process of Rational Drug Design
Rational drug design, an integral component of the drug discovery process, has catalyzed major breakthroughs in the pharmaceutical...
LLMs
chatgpt
Drug design
The Future of Pharmaceuticals: Large Language Models in Drug Design
The pharmaceutical industry stands on the brink of a paradigm shift, with the introduction of large language models (LLMs)...
protein design
Protein Engineering
Protein Design: Applications in Medicine, Industry, and Research
Protein design is a rapidly expanding field of bioengineering that harnesses the power of protein structure to create new...
GROMACS
Molecular dynamics
A Beginner's Guide to Molecular Dynamics Simulations
Introduction to Molecular Dynamics Simulations
Molecular dynamics (MD) simulations are a powerful tool extensively used...
AutoDock
Molecular Docking
A Comprehensive Review on the Top 10 Molecular Docking Softwares
Molecular docking, virtual screening, and drug discovery might seem like complex terms buzzing around the scientific community...
Introduction to Molecular Docking: Exploring the basics of structure-based drug design
What is molecular docking?
Molecular docking is like a game of lock and key at a microscopic level. It involves the prediction...
AMBER
GROMACS
Molecular dynamics
Detailed Comparison: GROMACS Vs. AMBER for Molecular Dynamics Simulations
Molecular dynamics (MD) simulations are widely used to study the structure and function of biomolecules, such as proteins,...
Molecular Dynamics Service
Protein Engineering
Molecular dynamics
The Influential Role of Molecular Dynamics in Understanding Protein Structure
Proteins are the workhorses of cellular processes, carrying out essential functions that underpin all forms of life. Understanding...
Pharmacophore
Virtual screening
A Comprehensive Guide to the Top 8 Pharmacophore Modeling Software
In the fascinating and ever-evolving world of drug discovery, each new technological advancement brings us a step closer...
Drug design
QSAR
The Top 10 Software for QSAR Analysis
QSAR software refers to software tools employed by scientists and researchers, specifically in the areas of chemoinformatics,...
Metagenomics
Bioinformatics
The Applications of Metagenomics in Environmental Research
Metagenomics is an emerging field that is gaining attention in many areas, particularly in environmental research. Before...
Antibody_Design
Antigen
Best Software and Webserver for Antibody Design
Antibody design is a process of creating new antibodies that can bind to specific targets, such as antigens, toxins, or drugs....
GROMACS
Molecular dynamics
GROMACS Tips and Tricks: How to remove GROMACS periodic boundary conditions?
GROMACS is a popular molecular dynamics simulation software that uses periodic boundary conditions (PBC) to minimize edge...
AutoDock
Molecular Docking
How to Fix AutoDock4 Errors on Windows 10
Are you using AutoDock4, a popular computational docking program, to perform molecular simulations on your Windows 10 computer?
Molecular dynamics
Drug design
What is the Role of MD Simulation in Drug Design?
In the ever-evolving field of drug design, researchers are constantly seeking innovative techniques to accelerate the discovery...
Molecular dynamics
Drug design
How Long Should You Run Molecular Dynamics Simulations for Drug Design?
Molecular dynamics (MD) simulations are powerful computational tools that can help in drug discovery and pharmaceutical development....
Antivirals
Molecular dynamics
Impacts of Molecular Dynamics on the Development of Antivirals
Viruses pose immense health, social and economic burdens worldwide. While antivirals have helped combat many pathogens, resistance...
VMD
GROMACS
Molecular dynamics
Efficient Techniques for Extracting PDB Snapshots from GROMACS Trajectory Files
Molecular dynamics (MD) simulations have become an indispensable tool in the field of biochemistry and drug design. GROMACS,...
GROMACS
Molecular dynamics
GROMACS Tips and Tricks: How to Extend and Continue a Molecular Dynamics Simulation
Molecular dynamics simulations are an essential tool for studying the behavior of biological systems. However, these simulations...
radius of gyration
GROMACS
GROMACS Tips and Tricks: How to Change the Time in Gyration Plot to ns in GROMACS
One of the most common analyses performed on molecular dynamics trajectories is the calculation of the radius of gyration...
GROMACS
Molecular dynamics
GROMACS Tips and Tricks: How to Analyze the Hydrogen Bonding Network in Molecular Dynamics Simulations
Hydrogen bonds are important interactions that stabilize the structure and function of biomolecules. They also play a key...
PCA
Molecular dynamics
GROMACS Tips and Tricks:How to perform principal component analysis on GROMACS trajectories?
PCA is a technique for reducing the dimensionality of a data set by projecting it onto a few orthogonal axes that capture...