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3 results for “2D distance map”
Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks
<p>Residue-residue distance information is useful for predicting tertiary structures of protein monomers or quaternary structures of protein complexes. Many deep learning methods have been developed to predict intra-chain residue-residue distances of monomers accurately, but few methods can accurately predict inter-chain residue-residue distances of complexes. We develop a deep learning method CDPred (i.e., Complex Distance Prediction) based on the 2D attention-powered residual network to address the gap. Tested on two homodimer datasets, CDPred achieves the precision of 60.94% and 42.93% for top L/5 inter-chain contact predictions (L: length of the monomer in homodimer), respectively, substantially higher than DeepHomo’s 37.40% and 23.08% and GLINTER’s 48.09% and 36.74%. Tested on the two heterodimer datasets, the top Ls/5 inter-chain contact prediction precision (Ls: length of the shorter monomer in heterodimer) of CDPred is 47.59% and 22.87% respectively, surpassing GLINTER’s 23.24% and 13.49%. Moreover, the prediction of CDPred is complementary with that of AlphaFold2-multimer.</p>
Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks
<p>Residue-residue distance information is useful for predicting tertiary structures of protein monomers or quaternary structures of protein complexes. Many deep learning methods have been developed to predict intra-chain residue-residue distances of monomers accurately, but few methods can accurately predict inter-chain residue-residue distances of complexes. We develop a deep learning method CDPred (i.e., Complex Distance Prediction) based on the 2D attention-powered residual network to address the gap. Tested on two homodimer datasets, CDPred achieves the precision of 60.94% and 42.93% for top L/5 inter-chain contact predictions (L: length of the monomer in homodimer), respectively, substantially higher than DeepHomo’s 37.40% and 23.08% and GLINTER’s 48.09% and 36.74%. Tested on the two heterodimer datasets, the top Ls/5 inter-chain contact prediction precision (Ls: length of the shorter monomer in heterodimer) of CDPred is 47.59% and 22.87% respectively, surpassing GLINTER’s 23.24% and 13.49%. Moreover, the prediction of CDPred is complementary with that of AlphaFold2-multimer.</p>
Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks
<p>Benchmark data sets of CDPred as described in</p> <p><strong>Prediction of inter-chain distance maps of protein complexes with 2D attention-based deep neural networks</strong></p> <p>Zhiye Guo<sup>1</sup>, Jian Liu<sup>1</sup>, Jeffrey Skolnick<sup>2</sup>, Jianlin Cheng<sup>1*</sup></p> <p><sup>1 </sup>Department of Electrical Engineering and Computer Science, University of Missouri, Columbia, MO 65211</p> <p><sup>2 </sup>School of Biological Sciences, Georgia Institute of Technology, Atlanta, GA 30332-2000</p> <p>*Corresponding author (chengji@missouri.edu)</p> <p>There is four test dataset in this package, each test dataset contains four different folders and one list file. The <strong>afpred_pdb</strong> includes all the corresponding monomer structures predicted by alphafold. The <strong>cdpred_output </strong>includes the prediction results of our tool CDPred for each dataset. The <strong>pre_gen_a3m </strong>includes the multiple sequence alignments file used by CDPred to generate prediction results. And the <strong>true_pdb </strong>includes the fasta file for the test dataset and its heavy atom distance map (h_dist) and carbon alpha distance map (real_dist) that extract from the native structure.</p> <p>HomoTest1: The homodimer test dataset contains 28 targets collect from CASP_CAPRI 10-13</p> <p>HomoTest2: The homodimer test dataset contains 23 targets collect from CASP_CAPRI 13-14</p> <p>HeteroTest1: The heterodimer test dataset contains 9 targets collect from CASP_CAPRI13-14</p> <p>HeteroTest2: The heterodimer test dataset contains 55 targets collect from PDB bank 09-2021 to 11-2021</p>
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