RCSB Protein Data Bank: Architectural Advances Towards …
2021年5月28日 · Since 2003, the PDB has been managed jointly by the Worldwide Protein Data Bank (wwPDB) partnership, 2, 3 (including US-funded Research Collaboratory for Structural …
Protein Data Bank - an overview | ScienceDirect Topics
PDBx/mmCIF overcame serious shortcomings in the templated legacy PDB file format, allowing facile expansion as structural biology evolved as a scientific discipline. In 2014, PDBx/mmCIF …
RCSB Protein Data Bank: Efficient Searching and ... - ScienceDirect
2023年7月15日 · The Research Collaboratory for Structural Bioinformatics (RCSB) Protein Data Bank (PDB) RCSB.org research-focused web portal 1, 2, 3 provides open access to a …
Validation of Structures in the Protein Data Bank
2017年12月5日 · The Worldwide Protein Data Bank (wwPDB; https://wwpdb.org [Berman et al., 2003]) is the international consortium that maintains the Protein Data Bank—the single global …
PSAC-PDB: Analysis and classification of protein structures
2023年5月1日 · PDB plays an important role in the global dissemination of molecular structures of biological molecules. A novel framework (named PSAC-PDB) was presented in this paper, …
Beyond the double helix: DNA structural diversity and the PDB
2021年1月1日 · The PDB is for most of us the source of information where one can rapidly download structure(s) of interest and/or simply examine them visually, using the built-in …
CHARMM-GUI PDB Manipulator: Various PDB Structural …
2023年7月15日 · PDB Manipulator supports modeling of ligands or small molecules 14 with four FF parameterization options such as CGenFF, GAFF2, OpenFF, and custom CHARMM FF …
PDB4DNA: Implementation of DNA geometry from the Protein …
2015年7月1日 · The PDB reader functionality (called by the function PDBlib::load, Fig. 1) reads the molecular structure from a PDB file into Geant4. Note that the PDB reader is able to read …
PDB2DAT: Automating LAMMPS data file generation from PDB …
2024年5月1日 · It extracts molecular details from PDB files, uses Rdkit and Xyz2mol for bonding analysis and 3D conformer generation, and uses Pysimm for assigning force field types and …
Antibody–drug conjugates: Recent advances in payloads
2023年10月1日 · Dimitrios A. Skoufias's team 72 compared the structure of the Eg5 Arry-520 complex with that of the Eg5 ispinesib complex (PDB ID: 4AP0) (Fig. 8 B). The superposition …