Topic: ligand Goto Github
Some thing interesting about ligand
Some thing interesting about ligand
ligand,This is a work to improve molecular docking speed. Normally docking a ligand on a target protein is done with some very complex functions and it is often slow. This work uses Neural Networks to model ligands on target proteins to measure whether they are active or not.
User: abdulsalam-bande
ligand,Create scoring functions from simulation data.
User: alexismolinamr
ligand,This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM
User: amirreza-mousavi
ligand,An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands
User: amirreza-mousavi
ligand,A program analyzing 3D protein structures from PDB to generate 2D binding motifs
User: cardypro
ligand,NeuralMD for protein-ligand binding MD simulation
User: chao1224
Home Page: https://chao1224.github.io/NeuralMD
ligand,AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
User: filipspl
ligand,Web application for protein-ligand binding sites analysis and visualization
User: jendelel
Home Page: http://prankweb.cz
ligand,Project examing sparse deep learning architectures for ligand classification.
User: jkarolczak
ligand,A python tool for Classification of ligand conformations based on Torsion angles
User: maxmeixner
ligand,Python snippets for PyMOL to be run in Jupyterlab via the jupyterlab-snippets-multimenus extension.
User: mooerslab
ligand,A Consensus Docking Plugin for PyMOL
User: paiardin
ligand,P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
User: rdk
Home Page: https://rdk.github.io/p2rank/
ligand,Molecular docking is one of the molecular modeling methods that predicts the preferred orientation of one molecule (ligand) to another (receptor) when bound to each other to form a stable complex (lowest energy state).
User: sarah-hesham-2022
ligand,Chemoinformatics tool for ligand-based virtual screening
User: unixjunkie
ligand,backup of silicos-it's align-it-1.0.4
User: unixjunkie
ligand,Command line recipes for the working chemoinformatician
User: unixjunkie
ligand,ligand-based virtual screening with consensus queries
User: unixjunkie
ligand,EleKit measures the similarity of electrostatic potentials between a small molecule and a protein.
User: unixjunkie
Home Page: http://www2.riken.jp/zhangiru/software.html
ligand,EleKit2 computes the electrostatic complementarity between a docked ligand and its protein receptor
User: unixjunkie
Home Page: http://www2.riken.jp/zhangiru/software.html
ligand,Molecular Mechanics in OCaml
User: unixjunkie
ligand,3D diverse conformers generation using rdkit
User: unixjunkie
ligand,Published work of mine in Pitt Biological Sciences Advising Blog about using Bioinformatics to predict Ligand-Protein interactions.
User: yogionbioinformatics
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