Markus Deserno is a professor in the Department of Physics at Carnegie Mellon University, where he works in the field of theoretical and computational biophysics. He focuses on lipid membranes and proteins, using a wide spectrum of techniques that range from coarse-grained molecular dynamics simulations up to differential geometry, continuum elasticity, and statistical field theory. Deserno received his Ph.D. from the Max Planck Institute for Polymer Research (MPI-P) in Mainz, Germany, in 2000. After graduation, he held a postdoctoral research position in the Department of Chemistry and Biochemistry at UCLA, followed by a group leader position back at the MPI-P. In 2007 he joined the Department of Physics at Carnegie Mellon University, where he got tenured in 2011 and became Full Professor in 2016. Between 2014 and 2020 Deserno served on the Editorial Board of the Biophysical Journal. He is an elected Fellow of the American Physical Society and received the Thomas E. Thompson Award of the Biophysical Society. Edit Tobias Baumgart is a professor in the Chemistry Department of the University of Pennsylvania. An experimental biophysical chemist at heart, he focuses on understanding how both lipids and proteins, as well as the continuum mechanics of bilayer assemblies determine membrane function. Baumgart obtained his Ph.D. from the Max Planck Institute for Polymer Research (MPI-P) and the Johannes Gutenberg University in Mainz, Germany, in 2001. He was a postdoctoral research associate with Watt Webb, Gerald Feigenson, and Barbara Baird at Cornell University in Ithaca, before becoming an Assistant Professor in 2005, and a full professor in 2017. He was on the Biophysical Journal’s Editorial Board between 2013 and 2019. He is a recipient of the Alfred P. Sloan and NSF CAREER awards, as well as the Dennis M. DeTurck and Charles Ludwig awards for distinguished teaching. Edit

• PrefaceTobias Baumgart and Markus Deserno1. Characterization of domain formation in complex membranes: Analyzing the bending modulus from simulations of complex membranesRainer A. Böckmann and Marius F.W. Trollmann2. The density-threshold affinity: Calculating lipid binding affinities from unbiased Coarse-Grain Molecular Dynamics simulationsGrace Brannigan, Jahmal Ennis, Ezry Santiago-McRae and Jesse W Sandberg3. Uncertainty quantification for trans-membrane stresses and moments from simulationMarkus Deserno and Samuel Lincoln Foley4. Binary Bilayer Simulations for Partitioning Within MembranesWonpil Im, Richard Walter Pastor and Soohyung Park5. Modeling Asymmetric Cell Membranes at All-atom ResolutionJeffrey Klauda, Jessica Bodosa and Anthony Pane6. Multiscale remodeling of biomembranes and vesiclesReinhard Lipowsky7. Building complex membranes with Martini 3Siewert-Jan Marrink, Helgi Ingolfur Ingolfsson, Tugba N. Ozturk, Melanie König, Timothy S. Carpenter, Kasper Busk Pedersen and Tsjerk A. Wassenaar8. Predicting lipid sorting in curved bilayer membranesLuca Monticelli, Cecile Hilpert and Jackson Crowley9. Simulating asymmetric membranes using P21 periodic boundary conditionsRichard Walter Pastor, Amy Rice, Bernard Brooks and Samarjeet Prasad10. Free Energy Calculations for Membrane Morphological Transformations and Insights to Physical Biology and OncologyRavi Radhakrishnan, Tobias Baumgart, Kshitiz Parihar, Seung-Hyun Brianna Ko, Wei Guo, Paul Janmey, Ryan Bradley, Phillip Taylor and Natesan Ramakrishnan11. Modeling the mechanochemical feedback for membrane-protein interactions using a continuum mesh modelPadmini Rangamani and Christopher Lee12. Lattice-based mesoscale simulations and mean-field theory of cell membrane adhesionBartosz Różycki, Jingeli Hu, Long Li, Lukasz Milewski and Jie Gao13. Dynamic framework for large-scale modelling of membranes and peripheral proteinsMohsen Sadeghi and David Rosenberger14. Computing the spontaneous curvature of dynamic lipid complexes in molecular dynamics simulationsAlexander Sodt, Amirali Hossein and Kayla Sapp15. Non-affine deformation analysis and 3D packing defects: A new way to probe membrane heterogeneity in molecular simulationsAnand Srivastava and Madhusmita Tripathy16. Analyzing curvature and lipid distributions in molecular dynamics simulations of complex membranesPeter Tieleman

Markus Deserno is a professor in the Department of Physics at Carnegie Mellon University, where he works in the field of theoretical and computational biophysics. He focuses on lipid membranes and proteins, using a wide spectrum of techniques that range from coarse-grained molecular dynamics simulations up to differential geometry, continuum elasticity, and statistical field theory. Deserno received his Ph.D. from the Max Planck Institute for Polymer Research (MPI-P) in Mainz, Germany, in 2000. After graduation, he held a postdoctoral research position in the Department of Chemistry and Biochemistry at UCLA, followed by a group leader position back at the MPI-P. In 2007 he joined the Department of Physics at Carnegie Mellon University, where he got tenured in 2011 and became Full Professor in 2016. Between 2014 and 2020 Deserno served on the Editorial Board of the Biophysical Journal. He is an elected Fellow of the American Physical Society and received the Thomas E. Thompson Award of the Biophysical Society. Edit Tobias Baumgart is a professor in the Chemistry Department of the University of Pennsylvania. An experimental biophysical chemist at heart, he focuses on understanding how both lipids and proteins, as well as the continuum mechanics of bilayer assemblies determine membrane function. Baumgart obtained his Ph.D. from the Max Planck Institute for Polymer Research (MPI-P) and the Johannes Gutenberg University in Mainz, Germany, in 2001. He was a postdoctoral research associate with Watt Webb, Gerald Feigenson, and Barbara Baird at Cornell University in Ithaca, before becoming an Assistant Professor in 2005, and a full professor in 2017. He was on the Biophysical Journal’s Editorial Board between 2013 and 2019. He is a recipient of the Alfred P. Sloan and NSF CAREER awards, as well as the Dennis M. DeTurck and Charles Ludwig awards for distinguished teaching. Edit

• PrefaceTobias Baumgart and Markus Deserno1. Characterization of domain formation in complex membranes: Analyzing the bending modulus from simulations of complex membranesRainer A. Böckmann and Marius F.W. Trollmann2. The density-threshold affinity: Calculating lipid binding affinities from unbiased Coarse-Grain Molecular Dynamics simulationsGrace Brannigan, Jahmal Ennis, Ezry Santiago-McRae and Jesse W Sandberg3. Uncertainty quantification for trans-membrane stresses and moments from simulationMarkus Deserno and Samuel Lincoln Foley4. Binary Bilayer Simulations for Partitioning Within MembranesWonpil Im, Richard Walter Pastor and Soohyung Park5. Modeling Asymmetric Cell Membranes at All-atom ResolutionJeffrey Klauda, Jessica Bodosa and Anthony Pane6. Multiscale remodeling of biomembranes and vesiclesReinhard Lipowsky7. Building complex membranes with Martini 3Siewert-Jan Marrink, Helgi Ingolfur Ingolfsson, Tugba N. Ozturk, Melanie König, Timothy S. Carpenter, Kasper Busk Pedersen and Tsjerk A. Wassenaar8. Predicting lipid sorting in curved bilayer membranesLuca Monticelli, Cecile Hilpert and Jackson Crowley9. Simulating asymmetric membranes using P21 periodic boundary conditionsRichard Walter Pastor, Amy Rice, Bernard Brooks and Samarjeet Prasad10. Free Energy Calculations for Membrane Morphological Transformations and Insights to Physical Biology and OncologyRavi Radhakrishnan, Tobias Baumgart, Kshitiz Parihar, Seung-Hyun Brianna Ko, Wei Guo, Paul Janmey, Ryan Bradley, Phillip Taylor and Natesan Ramakrishnan11. Modeling the mechanochemical feedback for membrane-protein interactions using a continuum mesh modelPadmini Rangamani and Christopher Lee12. Lattice-based mesoscale simulations and mean-field theory of cell membrane adhesionBartosz Różycki, Jingeli Hu, Long Li, Lukasz Milewski and Jie Gao13. Dynamic framework for large-scale modelling of membranes and peripheral proteinsMohsen Sadeghi and David Rosenberger14. Computing the spontaneous curvature of dynamic lipid complexes in molecular dynamics simulationsAlexander Sodt, Amirali Hossein and Kayla Sapp15. Non-affine deformation analysis and 3D packing defects: A new way to probe membrane heterogeneity in molecular simulationsAnand Srivastava and Madhusmita Tripathy16. Analyzing curvature and lipid distributions in molecular dynamics simulations of complex membranesPeter Tieleman