After several procedures with Molecular Dynamics using GROMACS and CHARMM forcefield, we wanted to use specific geometry of MD simulation in QMMM calculations using ORCA. We decided to use amber ...

This page describes the command line of the four executable files (PDB-BRE-InterPair, PDB-BRE-DonSeqLabel, PDB-BRE-ProSeqLabel and PDB-BRE-PPISeqLabel) in the PDB-BRE package and their corresponding ...

A PDB (Protein Data Bank) file is a file format used to store the three-dimensional structure of proteins and nucleic acids. This file format is widely used by scientists and researchers in various ...

Convert between PDB, SDF, MOL2, SMILES, and 100+ other formats. Unlock the full potential of your PDB structures with our all-in-one online PDB file converter. Whether you need simplified SMILES, ...

Protein Data Bank (PDB) files are 3D molecular files that store molecular structures. Now, if you are wondering how to open such files on a PC, this post will interest you. Here, we will discuss PDB ...

PalmDoc Book (PDB) files are container files used to hold structured digital text files in a format that can include graphics with the text. Many older released texts are contained in the PDB format, ...

Convert between PDB, SDF, MOL2, SMILES, and 100+ other formats. Quickly transform Protein Data Bank (PDB) files into Crystallographic Information Files (CIF) with zero data loss. Our web-based tool ...

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jmedchem.4c01113. PDB files of synthesized photopeptides in complex ...