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Studying phase transition temperature of pentadecane using MD simulations

SOFTWARE

We share Bioinformatics software and data to facilitate research.  

AxPEP | BESTox | LigTMap | PSOVina | GWOVina | TMDIM | ProtPOS | PyMOL mControl

DATASET

AmPEP SAMFF

AmPEP AxPEP

Sequence-based classification of Antimicrobial peptides


BESTox

Convolutional neural network regression model for acute oral toxicity prediction

LigTMap

Target and activity prediction server for small molecules

PSOVina

Fast protein-ligand docking tool based on PSO and AutoDock Vina

GWOVina

Fast protein-ligand docking tool based on GWO and AutoDock Vina

SAMFF

A refined empirical force field to model protein-SAM interactions based on GAFF and AMBER14 



TMDIM (the server is retired)

Structure prediction of TM domains of bitopic dimers

ProtPOS

Fast prediction of protein preferred  orientation on a surface


PyMOL mControl

Mobile controller for molecular visualization