Other names: d3pm
D3PM is a Comprehensive Database for Protein Motions Ranging from Residue to Domain
small molecule proteins drug discovery molecular dynamics molecular modelling
Anti-Inflamamtory Compounds Database for drug discovery.
In silico drug docking against SARS-CoV2 targets
Automatic Set Up of Molecular Mechanics/Coarse-Grained Simulations for Human G Protein-Coupled Receptor/Ligand Complexes. Automatic set up of Molecular Mechanics/Coarse-Grained (MM/CG) simulations fo ...
D3DistalMutation is a database to explore the effect of distal mutations on enzyme activity. In general, D3DistalMutation describes the effect of distal mutation (mutations more than 10 Å away from th ...
Glycan Microarray Database and Analysis Toolset.
DrugCombDB is a comprehensive database dedicated to integrating drug combinations from various data sources, include 1) high-throughput screening assays of drug combinations, 2) external databases, an ...
Database of protein Molecular Dynamics simulations, with 1800 trajectories representing different structural clusters of the PDB.
The Biological Structure Model Archive (BSM-Arc) aims to collect raw data obtained via in silico methods related to structural biology, such as computationally modeled 3D structures and molecular dyna ...
GPCRmd uncovers the dynamics of the 3D-GPCRome. The online resource for GPCR simulations. GPCRmd is an online platform with web-based visualization capabilities and a comprehensive analysis toolbox ...
This tool is for understanding the coronavirus proteome and evaluating possible drug targets.
Facilitating drug discovery with enriched comparative data of targeted agents.
DSMM is a Database of Simulated Molecular Motions. This database is designed to serve as a single searchable site for locating movies and animations from simulations of biomolecules. DSMM is accessibl ...
Checkpoint Therapeutic Targets and Modulators Database (CKTTD) for Cancer Immunotherapy is a comprehensive database for checkpoint targets and their modulators in cancer immunotherapy. Immune checkpoi ...
Database for comprehensive results on the conformational dynamics of high molecular weight proteins and protein assemblies. Analysis is performed using a coarse-grained computational approach that is ...
ChemHub is a comprehensive database for selecting biosynthetic target molecules based on compound functions.
A Comprehensive Database for Drug Repositioning Inspired by Experimental Knowledge | Drug Repositioning Drug repositioning, or the identification of new indications for approved therapeutic drugs, has ...
A Database Extension to Visualize Structural Interactome in One-to-many Manner
Het-PDB Navi is a database that collects small molecules found in Protein Data Bank (PDB). An atomic reality of protein function is based on interactions between a protein and another molecule. One of ...
DrugSimDB is a comprehensive database of multi-modal drug similarity measures by integrating variety of heterogenous datasets.
a database for protein-peptide identification based on a hybrid clustering algorithm. PROPEDIA is a database of peptide-protein complexes clusterized in three methodologies: (i) peptide sequences; (i ...