Lev Tsidilkovski

Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE

Hannah M. Baumann, Josh T. Horton, Michael M. Henry, Alyssa Travitz et autres

Accurately measuring compound binding affinities is key to driving the pharmaceutical development process. Rigorous physics-based in silico approaches, particularly alchemical free energy methods, have become a gold-standard tool for estimating compound affinity changes. Here we present the results of a large-scale precompetitive …

sk, us, au, de, es, br, gb, il, ca, ch, cn (code pays fourni par la source)

Large-scale collaborative assessment of binding free energy calculations for drug discovery using OpenFE

Hannah M. Baumann, Joshua T. Horton, Michael M. Henry, Alyssa Travitz et autres

Accurately measuring compound binding affinities is key to driving the pharmaceutical development process. Rigorous physics-based in silico approaches, particularly alchemical free energy methods, have become a gold standard tool for estimating compound affinity changes. Here we present the results of a large-scale …

us, de, es, se, br, ch, cn (code pays fourni par la source)

Competing instabilities reveal how to rationally design and control active crosslinked gels

Bibi Najma, Minu Varghese, Lev Tsidilkovski, Linnea Lemma et autres

How active stresses generated by molecular motors set the large-scale mechanics of the cell cytoskeleton remains poorly understood. Here, we combine experiments and theory to demonstrate how the emergent properties of a biomimetic active crosslinked gel depend on the properties of its …

us (code pays fourni par la source)

10.1063/5.0089556.5

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan

This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components …

us (code pays fourni par la source)

10.1063/5.0089556.3

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan

This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components …

us (code pays fourni par la source)

10.1063/5.0089556.1

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan

This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components …

us (code pays fourni par la source)

Microcompartment assembly around multicomponent fluid cargoes

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan

This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components …

us (code pays fourni par la source)

Microcompartment assembly around multicomponent fluid cargoes

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan

This article describes dynamical simulations of the assembly of an icosahedral protein shell around a bicomponent fluid cargo. Our simulations are motivated by bacterial microcompartments, which are protein shells found in bacteria that assemble around a complex of enzymes and other components …

us (code pays fourni par la source)

Dual antagonistic role of motor proteins in fluidizing active networks

Bibi Najma, Minu Varghese, Lev Tsidilkovski, Linnea Lemma et autres

Cells accomplish diverse functions using the same molecular building blocks, from setting up cytoplasmic flows to generating mechanical forces. In particular, transitions between these non-equilibrium states are triggered by regulating the expression and activity of cytoskeletal proteins. However, how these proteins set …

Simulations on encapsulation of multiple cargoes in Bacterial Microcompartments

Lev Tsidilkovski, Farzaneh Mohajerani, Michael F. Hagan