L-tryptophan binding constants (Kd) of three wild type and three mutant TRAP.

Figshare2015-12-02 更新2026-04-29 收录

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https://figshare.com/articles/dataset/_L_tryptophan_binding_constants_K_d_of_three_wild_type_and_three_mutant_TRAP_/250846 数据链接链接失效反馈

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L-tryptophan binding constants (Kd) of three wild type and three mutant TRAP.

创建时间：

2015-12-02

Calculated and experimental mutational energies (kcal/mol) of the receptor mutants.

分子动力学模拟

蛋白质-配体相互作用

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

药物靶点识别

蛋白质-配体相互作用

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-

Protein Data Bank Japan2024-05-08 更新20

Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.

分子动力学模拟

蛋白质-配体相互作用

Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.

Figshare2022-08-23 更新00

Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution.

晶体结构解析

蛋白质-配体相互作用

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

Protein Data Bank Japan2024-11-20 更新30

Mutational probability of affinity increase and affinity decrease.

突变与病变效应分析

亲和力变化模拟

#number of segregating mutations of each class among the 6 sim lines;*chi-square test p-value is based on 10,000 simulations as one of the cells contain less than 5 counts.

Figshare2015-12-02 更新10

L-tryptophan binding constants (Kd) of three wild type and three mutant TRAP.

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