MD Simulations

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21 to 30 of 77 Results

NSD2_H3K36.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 153.5 KB - MD5: 2cbe8013d1f37647a39430c37e6f242d PDB file for NSD2 complexed with the 15 amino acid long H3K36 peptide
NSD2_SAM.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 5.0 KB - MD5: 46e7a82095a4334671cb3dbe987fb8f6 PDB file of SAM cofactor
NSD2_ssK36_end_structure.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 158.2 KB - MD5: 879b7575f25bdcd2167f9531095ec792 PDB file of exemplary conformation of NSD2 complexed with the 15 amino acid long ssK36 peptide after 100 ns MD simulation.
NSD2_ssK36_P30G_P43S.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 153.2 KB - MD5: d0f0501cc7a933f1d5670eac7095997f PDB file of NSD2 complexed with ssK36 P30G/P43S mutant peptide
NSD2_ssK36.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 153.6 KB - MD5: 48c1db9240b01ef045647b56e91189a2 PDB file for NSD2 complexed with the 15 amino acid long H3K36 peptide
NSD2_ZNB.pdb Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate application/vnd.palm - 1.5 KB - MD5: 478a9cc6b6c5de185f5233eddb52af50 PDB file of zinc ions
Production_NSD2.py Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate Python Source Code - 14.0 KB - MD5: a85710c28cad53b4962b1328c7abeca8 Python script for the production of MD simulations of NSD2 complexed with a peptide
README.pdf Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate Adobe PDF - 219.1 KB - MD5: 79a268987e3349fbfb79646b503113ea README file to guide you through this repository and explain all contents.
SAM.xml Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate XML - 20.9 KB - MD5: 8504b192cebc39de3edb5595d94cd0e4 Parameter file for cofactor SAM
ZNB.xml Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate XML - 1.6 KB - MD5: a8f183de30b9a05bd6a6515d639ea88c Parameter file for zinc ions

NSD2_H3K36.pdb

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

application/vnd.palm - 153.5 KB -

PDB file for NSD2 complexed with the 15 amino acid long H3K36 peptide

NSD2_SAM.pdb

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

application/vnd.palm - 5.0 KB -

PDB file of SAM cofactor

NSD2_ssK36_end_structure.pdb

Mar 28, 2024 - Additional data related to Weirich et al.: Discovery of new NSD2 non-histone substrates and design of a super-substrate

application/vnd.palm - 158.2 KB -

PDB file of exemplary conformation of NSD2 complexed with the 15 amino acid long ssK36 peptide after 100 ns MD simulation.