MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3

NIAID Data Ecosystem2026-05-01 收录

蛋白质相互作用模拟

酶催化机理计算

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MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3

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2024-02-14

Quantum Chemical Study on the Coordination Environment of the Catalytic Zinc Ion in Matrix Metalloproteinases

酶催化机理计算

量子化学生物模拟

X-ray analyses of matrix metalloproteinases (MMPs) have shown that the catalytic zinc ion (Zn1) can bind to one to three water molecules in addition to three conserved histidine residues. To estimate

NIAID Data Ecosystem60

Insight into Enzymatic C−F Bond Formation from QM and QM/MM Calculations

酶催化机理计算

C-F键活化

The C−F bond-forming step in the fluorinase, the only native fluorination enzyme characterized to date, has been studied. The enzyme catalyzes the reaction between S-adenosyl-l-methionine (SAM) and fl

NIAID Data Ecosystem50

Dual-Capped Helical Interface Mimics

蛋白质相互作用模拟

螺旋肽模拟物设计

Disruption of protein–protein interactions is medicinally important. Interface helices may be mimicked in helical probes featuring enhanced rigidities, binding to protein targets, stabilities in serum

Figshare2024-04-04 更新30

Molecular Basis of Bcl-X L -p53 Interaction: Insights from Molecular Dynamics Simulations

蛋白质相互作用模拟

凋亡通路调控

Bcl-XL, an antiapoptotic Bcl-2 family protein, plays a central role in the regulation of the apoptotic pathway. Heterodimerization of the antiapoptotic Bcl-2 family proteins with the proapoptotic fami

NIAID Data Ecosystem50

Combinatorial Complexity and Compositional Drift in Protein Interaction Networks

蛋白质相互作用模拟

分子网络稳定性分析

The assembly of molecular machines and transient signaling complexes does not typically occur under circumstances in which the appropriate proteins are isolated from all others present in the cell. Ra

NIAID Data Ecosystem30

MODELING PROTEIN-SUBSTRATE INTERACTIONS IN THE HEME DOMAIN OF CYTOCHROME P450BM-3

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