Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM Computation

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Lung cancer is the leading cause of cancer-related deaths worldwide and the most common lung cancer subtype is lung adenocarcinoma (LUAD). Frequently mutated genes involve activating mutations in KRAS and loss of function mutations in TP53. LUADs primarily ...

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A series of Ga(Q(n))(3) coordination compounds have been synthesized, where HQ(n) is 1-phenyl-3-methyl-4-RC(=O)-pyrazolo-5-one. The complexes have been characterized through analytical data, NMR and IR spectroscopy, ESI mass spectrometry, elemental analysi ...

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BRCA2 and RAD51 are two proteins that play a central role in homologous recombination (HR) and DNA double strand break (DSB) repair. BRCA2 assists RAD51 fibrillation and defibrillation through binding with its eight BRC repeats, with BRC4 being one of the ...

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

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Simple Summary Invasive lobular carcinoma (ILC) is the second most common histologic subtype of breast cancer and is often detected at an advanced stage. Up to 30% of ILC cases relapse and present a challenge for treatment. Unfortunately, there are few mod ...

Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM Computation

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