PDBIDs of protein-ligand complexes used in analysis.
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PDBIDs of protein-ligand complexes used in analysis.
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2015-12-02
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Calculated and experimental mutational energies (kcal/mol) of the receptor mutants.
aDistance dependent dielectric constant minimization (DDDCM). The standard deviations of the mutational energies were computed using 15 frames.bExplicit water minimization (EWM). The standard deviatio
Figshare2015-12-02 更新50
Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide
Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide Descriptor: (S)-5-(1-acetyl-2-cyclopropyl-4-
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Table 5_Successful prediction of LC8 binding to intrinsically disordered proteins sheds light on AlphaFold’s black box.xlsx
IntroductionLC8 is a hub protein involved in many processes from tumor suppression and cell cycle regulation to neurotransmission and viral infection. Despite recent progress, prediction of binding si
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Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution.
Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Autho
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Crystal structure of the archaeal asparagine synthetase A complexed with L-Aspartic acid and Adenosine triphosphate
Crystal structure of the archaeal asparagine synthetase A complexed with L-Aspartic acid and Adenosine triphosphate
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