Drug discovery analysis software tools and databases

The goal of drug discovery is to identify, optimize and clinically validate those compounds that bind and modulate the function of a target protein implicated in a disease state. A drug molecule must possess certain geometry and physicochemical…

Drug discovery applications

Most recent bioinformatics tools

Blaze
Server

Blaze

Uses 3D molecular fields to make particularly suitable for scaffold hopping.…

Uses 3D molecular fields to make particularly suitable for scaffold hopping. Blaze is a ligand based virtual screening tool. It helps to: (i) increase the diversity of project leads and backups, (ii)…

PostDock
Desktop

PostDock

Allows to analyze and compare molecular docking results. PostDock is a…

Allows to analyze and compare molecular docking results. PostDock is a visualization tool that processes docking results and displays an interactive pseudo-3D snapshot of multiple docked ligand poses…

PostDOCK
Algorithm

PostDOCK

Allows to evaluate and rank ligand-receptor complexes. PostDOCK is a…

Allows to evaluate and rank ligand-receptor complexes. PostDOCK is a post-processing filter aiming to improve the results obtained by the scoring methods in docking by adding a post-processing filter…

VISCANA
Algorithm

VISCANA VISualized Cluster ANAlysis

Enables virtual ligand screening (VLS). VISCANA allows to classify structurally…

Enables virtual ligand screening (VLS). VISCANA allows to classify structurally similar ligand molecules that could not bind a receptor. The algorithm is also applicable to interaction analysis by a…

Most popular analytical software and databases

ChemDes
Web

ChemDes

An integrated web-based platform for molecular descriptor and fingerprint…

An integrated web-based platform for molecular descriptor and fingerprint computation. ChemDes provides more than 3,679 molecular descriptors that are divided into 61 logical blocks. In addition, it…

PiHelper
Desktop

PiHelper

A drug- and antibody-target information aggregator and provider service.

A drug- and antibody-target information aggregator and provider service.

TCMSP
Dataset
POLYVIEW-MM
Web

POLYVIEW-MM

Integrates high-quality animation of molecular motion (MM) with structural and…

Integrates high-quality animation of molecular motion (MM) with structural and functional analysis of macromolecules.

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