Designing peptide therapeutics requires precise peptide docking, which remains a challenge. We assessed the ESMFold language model, originally designed for protein structure prediction, for its ...

Over the past two decades a growing body of evidence has demonstrated an important role of tight junction (TJ) proteins in the physiology and disease biology of GI and liver disease. On one side, TJ ...

TTK is composed of 857 amino acids with double lobed protein kinase ... structure of the receptor was further optimized and minimized by OPLS_2005 forcefield [34]. The grid was generated by selecting ...

The scaffold protein JIP1 plays a key role in the c-Jun N-terminal kinase (JNK) signaling pathway by facilitating the colocalization of multiple kinases, thereby ensuring their precise and efficient ...

These compounds have activities as receptor-interacting protein kinase 1 (RIPK1) inhibitors and may potentially provide treatment and/or prophylaxis of inflammatory and neurodegenerative diseases ...

Mammalian AMP-activated protein ... site that is phosphorylated by upstream kinases. Upstream kinases that have recently been identified include the tumour suppressor LKB1 and calmodulin-dependent ...

While AlphaFold and the subsequent AI revolution in biology garnered a lot of attention, the foundational bricks for the strides made in protein structure and design today ... acid sequence and the ...

Specific contacts between the PKG Iβ AI sequence and the enzyme active site help explain isoform ... This crystal structure of nearly full-length human cGMP-dependent protein kinase Iβ (PKG Iβ) ...

The optimization of molecular docking ... protein structure under each entry. All the proteins were visualized and processed using BIOVIA Discovery Studio 2019 to remove all the water molecules. For ...

Central to the sensing of DSBs is the ATM (Ataxia-telangiectasia mutated) kinase, which belongs to the phosphatidylinositol 3-kinase-related protein kinase (PIKK ... relieving the blockage of the ...