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In molecular modeling studies, the first step to realistically reflect the physical behavior of a structure is to bring it to its...

Packmol enables the creation of initial configurations for molecular dynamics simulations by packing molecules into defined regions of space. Various spatial constraints that can be applied to molecules or their atoms facilitate the creation of ordered systems such as layered, spherical or tubular lipid structures.

Kimyasal bileşiklerin dijital ortamda tanımlanması, modern kimya, biyoinformatik ve ilaç keşfi çalışmalarının temel taşlarından biridir. Bu amaçla geliştirilen SMILES (Simplified Molecular Input Line Entry System), InChI (International Chemical Identifier) ve diğer moleküler tanımlayıcı sistemler, moleküllerin yapısal bilgilerini metin formatında ifade etmeye olanak tanımaktadır.

The genomic data analysis process involves multiple stages—from quality control of raw sequencing data to alignment, variant calling, functional interpretation, and final reporting. This article explains each step in detail, along with the tools, file formats, and how biological questions are translated into data-driven insights.

What is a Potential Energy Surface? A potential energy surface (PES) is a multidimensional surface that represents the total energy...