Shozeb M Haider

The paper maps the fragment-binding landscape of SARS-CoV-2 nsp14, identifies promising sites for antiviral drug development, and provides a prioritized resource for future inhibitors.

This paper shows linezolid selectively inhibits JAK2V617F mutant cells in PV models, reducing disease burden without affecting wild-type cells.

This study investigates how {Omega}-loop mutations in PDC-3 β-lactamase affect its active site dynamics and catalytic activity through molecular simulations.

The paper identifies peptide ligands that bind i-motif DNA structures and modulate c-Myc gene expression in HEK293 cells.

This study investigates the activity-stability trade-off in PETase using simulations and experiments, revealing how reshaping loop dynamics can enhance both stability and activity.

The paper applies SHAPE-MaP to identify functional RNA structures in PEDV to guide antiviral drug design.

This study uses computational methods to analyze dynamic differences among Pen β-lactamases from Burkholderia spp., identifying critical mutations and functional hotspots.

This study shows that inhibiting the ZnF-UBP domain of HDAC6 in multiple myeloma cells reduces proliferation and aggresome formation, suggesting it as a therapeutic target.

This study uses machine learning and molecular dynamics to analyze substrate egress pathways in GLUT1 and GLUT9, revealing key residues and conformational changes, and showing apigenin inhibits GLUT9 via steric hindrance.

This paper introduces DyNoPy, a method combining coevolution analysis and molecular dynamics to predict functionally important residues in proteins, demonstrating its application on beta-lactamases.

This paper uses deep learning to analyze the co-evolutionary dynamics of L2 β-lactamases and their functional mechanisms.

The paper analyzes SARS-CoV-2 mutations across 8 million sequences to identify high-mutability proteins and predict surges, providing real-time genomic surveillance.

This study identifies SMARCC1 mutations as a cause of congenital hydrocephalus, showing they lead to neural progenitor dysfunction and a new syndrome called SaDDS.

The paper predicts future COVID-19 surges by analyzing SARS-CoV-2 mutations in real time using genomic surveillance data.