PI(3,4,5)P3 specificity and PI(4,5)P2 exclusion for AKT1 is pH dependent
Insightsinto antibacterial efflux mediated by drug: proton antiporters
Hierarchical Assembly Mechanisms in a Bacterial Thermo-Osmo Regulatory Protein
Structure and Dynamics of Molecular Self-assembly: Recent Results from Spontaneous Assemblies of Ultrashort Peptides
Interfacial Activation of Lipases
Modeling kinesin at work: Disease and drug perspectives
Modeling kinesin at work: mechanochemical cycle, effect of drug binding and disease related mutations
Interaction ofsmall molecules and peptides with the bacterial cell envelope
Salt and pH-Induced Transitions in the Conformational Ensembles of Intrinsically Disordered Proteins
Structural Insights into MTB Fatty Acid Synthase-I
Integrative modelling of bacterial chromosome
Expectation maximised molecular dynamics: an unsupervised machine learning approach towards rapid estimation of biomolecular transition barriers
Understanding HIV invasion mechanism and designing efficient inhibitor through computational techniques
Microscopic Origin of Exceptional Thermal Stability of Azurin
Identifying crucial E-protein residuesresponsible for unusualstability of Zika virus envelope
Simulating coarse-grained multi-structure-based models to understand conformational transitions.
Optimizing coarse-grained model representation for integrative modeling of macromolecular assemblies
Enhanced sampling and enzyme catalysis
Keeping 'I'on (in) RNA Folding: Insights from the Dynamic Counterion Condensation (DCC) Model
Spatiotemporal organization of peripheral protein nanoclusters through the cortical actin cytoskeleton
Regulatory mechanisms of membrane fission