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View article: Acidic sphingomyelinase interactions with lysosomal membranes and cation amphiphilic drugs: A molecular dynamics investigation
Acidic sphingomyelinase interactions with lysosomal membranes and cation amphiphilic drugs: A molecular dynamics investigation Open
Lysosomes are pivotal in cellular functions and disease, influencing cancer progression and therapy resistance with Acid Sphingomyelinase (ASM) governing their membrane integrity. Moreover, cation amphiphilic drugs (CADs) are known as ASM …
View article: Acidic Sphingomyelinase Interactions with Lysosomal Membranes and Cation Amphiphilic Drugs: a Molecular Dynamics Investigation
Acidic Sphingomyelinase Interactions with Lysosomal Membranes and Cation Amphiphilic Drugs: a Molecular Dynamics Investigation Open
Lysosomes are pivotal in cellular functions and disease, influencing cancer progression and therapy resistance with Acid Sphingomyelinase (ASM) governing their membrane integrity. Moreover, cation amphiphilic drugs (CADs) are known as ASM …
View article: ASM Variants in the Spotlight: A Structure-Based Atlas for Unraveling Pathogenic Mechanisms in Lysosomal Acid Sphingomyelinase
ASM Variants in the Spotlight: A Structure-Based Atlas for Unraveling Pathogenic Mechanisms in Lysosomal Acid Sphingomyelinase Open
Lysosomal acid sphingomyelinase (ASM), a critical enzyme in lipid metabolism encoded by the SMPD1 gene, plays a crucial role in sphingomyelin hydrolysis in lysosomes. ASM deficiency leads to acid sphingomyelinase deficiency, a rare genetic…
View article: Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy Open
Molecular dynamics (MD) simulations are a powerful approach to studying the structure and dynamics of proteins related to health and disease. Advances in the MD field allow modeling proteins with high accuracy. However, modeling metal ions…
View article: Comparison of force fields to study the zinc-finger containing protein NPL4, a target for Antabuse in cancer therapy
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for Antabuse in cancer therapy Open
All-atom molecular dynamics (MD) simulations are a powerful approach to study the structure and dynamics of proteins related to health and disease. Advances in the MD field allow modeling proteins with high accuracy. However, modeling meta…
View article: MAVISp: A Modular Structure-Based Framework for Protein Variant Effects
MAVISp: A Modular Structure-Based Framework for Protein Variant Effects Open
The role of genomic variants in disease has expanded significantly with the advent of advanced sequencing techniques. The rapid increase in identified genomic variants has led to many variants being classified as Variants of Uncertain Sign…
View article: Directed Evolution of (<i>R</i>)-2-Hydroxyglutarate Dehydrogenase Improves 2-Oxoadipate Reduction by 2 Orders of Magnitude
Directed Evolution of (<i>R</i>)-2-Hydroxyglutarate Dehydrogenase Improves 2-Oxoadipate Reduction by 2 Orders of Magnitude Open
Pathway engineering is commonly employed to improve the production of various metabolites but may incur in bottlenecks due to the low catalytic activity of a particular reaction step. The reduction of 2-oxoadipate to (R)-2-hydroxyadipate i…
View article: Unraveling membrane properties at the organelle-level with LipidDyn
Unraveling membrane properties at the organelle-level with LipidDyn Open
Cellular membranes are formed from many different lipids in various amounts and proportions depending on the subcellular localization. The lipid composition of membranes is sensitive to changes in the cellular environment, and their altera…
View article: Unraveling membrane properties at the organelle-level with LipidDyn
Unraveling membrane properties at the organelle-level with LipidDyn Open
Cellular membranes are formed from different lipids in various amounts and proportions depending on the subcellular localization. The lipid composition of membranes is sensitive to changes in the cellular environment, and its alterations a…
View article: Molecular-dynamics-simulation-guided membrane engineering of Saccharomyces cerevisiae by overexpression of plant FAE1 and GPAT5 genes increases fatty acid chain length in membrane lipids
Molecular-dynamics-simulation-guided membrane engineering of Saccharomyces cerevisiae by overexpression of plant FAE1 and GPAT5 genes increases fatty acid chain length in membrane lipids Open
Background The use of lignocellulosic-based fermentation media will be a necessary part of the transition to a circular bio-economy. These media contain many inhibitors to microbial growth, including acetic acid. Under industrially relevan…