Tag: molecular modelling


Found 36 sources
Source Match ReputationScore*

SWISS-MODEL Repository of 3D protein structure models


The SWISS-MODEL Repository is a database of annotated 3D protein structure models generated by the SWISS-MODEL homology-modelling pipeline for protein sequences of selected model organisms.
100%

Information system for G protein-coupled receptors


The GPCRDB is a molecular-class information system that collects, combines, validates and stores large amounts of heterogenous data on G protein-coupled receptors (GPCRs). The GPCRDB contains data on sequences, ligand binding constants and mutations. ...
68%

European Hepatitis C Virus database


The euHCVdb is mainly oriented towards protein sequence, structure and function analyses and structural biology of Hepatitis C Virus.
62%

Molecular Modeling Database


The Molecular Modeling Database (MMDB), as part of the Entrez system, facilitates access to structure data by connecting them with associated literature, protein and nucleic acid sequences, chemicals, biomolecular interactions, and more.
59%

NucleaRDB


Families of nuclear hormone receptors
49%

Protein Model Portal


Developed to foster effective usage of molecular models in biomedical research by providing convenient and comprehensive access to structural information for a protein - both experimental structures and theoretical models. Protein Model Portal is a c ...
48%

EMDataBank.org


EMDataBank.org is a resource for deposition and retrieval of cryoEM maps, models and associated metadata. The resource unifies public access to the two major archives containing EM-based structural data: EM Data Bank (EMDB) and Protein Data Bank (PDB ...
48%

ioChem-BD


ioChem-BD is a digital repository of Computational Chemistry and Materials results. A set of modules and tools aimed to manage large volumes of quantum chemistry results from a wide variety of broadly used simulation packages.
45%

SuperSweet


Natural and artificial sweetening agents
44%

SAHG


Structural Atlas of Human Genome
41%

DockCoV2


In silico drug docking against SARS-CoV2 targets
41%

BSM-Arc


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 dynamics trajectories. Since BSM-Arc does not enforce ...
39%

Disco


Disco Cross Docking Benchmark server for automated pose and ranking prediction of ligand binding.
38%

CovInDB


Covalent Inhibitor DataBase
38%

FeptideDB


A web application for new bioactive peptides from food protein
38%

DBCOVP


DBCOVP is a database of coronavirus virulent glycoproteins. A Knowledge Based Resource for Exploring the Functional and Immunological Properties of Coronavirus Virulent Glycoproteins for Application in Vaccine Target Discovery.
38%

HASP


Server designed as a scientific tool for researchers to visualize their phylogenetic, biochemical, and immunological HA data in the three-dimensional context of the HA structure, in the hopes that the context may help researchers better interpret the ...
38%

SARS-CoV-2 3D database


This tool is for understanding the coronavirus proteome and evaluating possible drug targets.
37%

FMODB


The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. FMODB: The database of quantum mechanical data based on the FMO method.
37%

Hybrid MM CG


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 for human G Protein-Coupled Receptor (GPCR)/ligand c ...
37%

LIT-PCBA


An Unbiased Data Set for Machine Learning and Virtual Screening. 15 target sets, 9780 actives,and 407839 inactives from high-confidence PubChem Bioassay data. LIT-PCBA: A dataset for virtual screening and machine learninig.
37%

GTDB


an integrated resource for glycosyltransferase sequences and annotations. Glycosyltransferases (GTs), a large class of carbohydrate-active enzymes, adds glycosyl moieties to various substrates to generate multiple bioactive compounds, including natu ...
37%

DenvInD


DenvInD is a database containing dengue virus inhibitors for clinical and molecular research.
36%

CERES


CERES is a cryo-EM re-refinement system for continuous improvement of deposited models.
36%

EcRBPome


Comprehensive database of Escherichia coli RNA-binding proteins (RBPs). This database documents RBPs identified by genome-wide survey of all known complete E. coli proteomes. EcRBPome also presents a cross-strain comparative account of these RBPs, as ...
36%

Propedia


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; (ii) structure interface; and (iii) binding sites. P ...
36%

SwissBioisostere


A database of molecular replacements for ligand design
35%

ConSurf-DB


Sequence conservation profiles of the proteins of known structures
35%

DDAP


Docking domain affinity and biosynthetic pathway prediction tool for type I polyketide synthases.
33%

RRDB


Comprehensive and non-redundant benchmark for RNA–RNA docking and scoring.
33%

D3PM


D3PM is a Comprehensive Database for Protein Motions Ranging from Residue to Domain
33%

KVarPredDB


A database for predicting pathogenicity of missense sequence variants of keratin genes associated with genodermatoses.
33%

Click2Drug


Directory of computational drug design tools, containing many links to databases, chemical structure representation, molecular modeling, homology modeling, binding site prediction, docking, screening, target prediction, ligand design, binding free en ...
33%

ConoMode


ConoMode is a database dedicated to collection of the complex 3D structures of conopeptides binding with their target proteins.
33%

GPCR-SSFE


GPCR-Sequence-Structure-Feature-Extractor (SSFE). Provides template suggestions and homology models of Class A GPCRs. Identifies key sequence and structural motifs in Class A GPCRs to guide template selection and build homology models.
33%

Glutantbase


A database for improving the rational design of glucose-tolerant β-glucosidases. A database of mutant β-glucosidases. Glutantbase is a database, webtool and method to evaluate mutations for β-glucosidases proteins used in industrial applications. G ...
33%

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