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Regarding fixing the coordination geometry of metal in the ligand, docking to receptor
metal containing ligand-receptor docking docking written 6 weeks ago by aiswaryan • 0 • updated 6 weeks ago by genomax ♦ 91k
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147
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Only got one ligand pose after Glide docking?
schrodinger glide docking written 11 weeks ago by kapoornancy25 • 10 • updated 8 weeks ago by lucaspalmeira.1945 • 0
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224
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How to chose best ligand option based on affinity and RMSD from Autodock vina docking results?
autodock vina binding affinity docking rmsd ligand written 3 months ago by maria2019 • 100 • updated 8 weeks ago by lucaspalmeira.1945 • 0
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117
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How to intrepret cDocker result in disovery studio?
cdocker discovery studio docking written 11 weeks ago by kapoornancy25 • 10
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Why Grid centers are different between Glide and ADTvina for the same Ligand-protein structures
glide autodock vina vina grid docking written 3 months ago by maria2019 • 100
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141
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multiple peptide docking
docking peptide written 5 months ago by husainbioinfos • 0 • updated 4 months ago by Biostar ♦♦ 20
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124
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Developing machine learning models from protein-ligand interactions
docking protein machine learning ligand written 4 months ago by fawazfebin • 100
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125
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How to assemble protein structure from known partial structures?
assembly rosetta docking protein folding folding written 5 months ago by Alex_I • 0
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143
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Symmetric docking of transmembrane helixes in Rosetta
helix rosetta docking transmembrane written 5 months ago by Alex_I • 0
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2
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767
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Different binding pockets from softwares
softwares protein structure docking written 3.1 years ago by Janeeta Raja • 20 • updated 6 months ago by Biostar ♦♦ 20
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158
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How to analyse a given molecule's binding affinity to DNA
simulation dna structure docking written 7 months ago by Min Dai • 160 • updated 7 months ago by matteoferla • 30
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145
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Combine two molecules and perform docking
combination medicine docking written 8 months ago by Sabine • 60
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129
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How can i find the name of my ligands in molegro vitual docker?
molegro dock docking written 9 months ago by ali.kian.saei • 10
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188
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News: Bioinfotrmatics Service Provider
cro molecular services docking bioinformatics news written 9 months ago by rasalsi123 • 0
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186
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Is necessary delete cofactors of protein for docking?
docking written 9 months ago by ali.kian.saei • 10
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QUESTION: Does anyone know of a software similar to PepComposer for computational peptide design?
peptide structure ligand docking written 11 months ago by alexille5640 • 10 • updated 10 months ago by matteoferla • 30
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284
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AutoDockTools - Utilities24
software protein autodock docking written 11 months ago by studia.biot • 20
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Question: Is there any software for finding or generating a small peptide ligand given a larger protein/receptor?
peptide ligand docking written 11 months ago by alexille5640 • 10 • updated 11 months ago by Woa • 2.8k
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220
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Docking using Autodock4
softdocking autodock docking written 11 months ago by studia.biot • 20 • updated 11 months ago by Mensur Dlakic • 6.9k
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197
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Soft docking -AutoDock4
potential autodock soft protein docking written 11 months ago by studia.biot • 20
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is it possible to dock a docked file with a new molecule...is it possible..wat steps should we follow
docking written 5.5 years ago by daasaheb • 0 • updated 11 months ago by zx8754 ♦ 9.7k
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Is it scientifically feasible to compare two samples of different sizes, while values in each sample are average numbers?
protein structures docking statistics written 12 months ago by srdjanmasirevic2 • 10
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221
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How to evaluate the binding affinity of a series of proteins to a specific DNA sequence
protein dna bind docking written 12 months ago by stcatpang • 60
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283
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mirna docking with HDOCK
mirna hdock docking written 14 months ago by koustavroy88 • 0 • updated 14 months ago by ATpoint ♦ 40k
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236
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Nanoparticle structure prediction
nanoparticle protein modelling docking written 15 months ago by maverick • 0
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348
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Help regarding protein modelling and docking. Can anybody provide me a protocol/gist of the steps involved to generate a pdb file from just a protein fragment?
protein homology modelling docking written 15 months ago by maverick • 0 • updated 15 months ago by jgreener • 260
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AutoDock needs the extension of the docking parameter file to be ".dpf"?
autodock autogrid docking written 15 months ago by arunsaikirans • 0 • updated 15 months ago by Biostar ♦♦ 20
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234
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Predict the ligand binding site in an Outer Membrane Protein (OMP)?
simulation docking phage tail proteins omp written 16 months ago by DanielC • 130
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331
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How to identify the sequence in the receptor to which my peptide of interest bind to?
peptide protein receptor docking written 18 months ago by soobiney • 0 • updated 17 months ago by Biostar ♦♦ 20
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Converting PDBQT output to PDB in VINA
docking pdbqt vina written 4.9 years ago by marawanhussain • 30 • updated 17 months ago by db4 • 10
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