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Updates to the Integrated Protein–Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2 由 Thom Vreven, Iain H. Moal, Anna Vangone, Brian G. Pierce, Panagiotis L. Kastritis, Mieczyslaw Torchala, Raphaël A. G. Chaleil, Brian Jiménez‐García, Paul A. Bates, Juan Fernández‐Recio, Alexandre M. J. J. Bonvin, Zhiping Weng

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Mechanical properties of lipid bilayers from molecular dynamics simulation 由 Richard M. Venable, Frank L. H. Brown, Richard W. Pastor

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Alchembed: A Computational Method for Incorporating Multiple Proteins into Complex Lipid Geometries 由 Elizabeth E. Jefferys, Zara A. Sands, Jiye Shi, Mark S.P. Sansom, P. W. Fowler

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Molecular Dynamics and Physical Stability of Coamorphous Ezetimib and Indapamide Mixtures 由 Justyna Knapik-Kowalczuk, Ż. Wojnarowska, K. Grzybowska, Karolina Jurkiewicz, Lidia Tajber, Marian Paluch

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Gaussian Accelerated Molecular Dynamics: Unconstrained Enhanced Sampling and Free Energy Calculation 由 Yinglong Miao, Victoria A. Feher, J. Andrew McCammon

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On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions 由 Marco Klähn, Sonja Braun‐Sand, Edina Rosta, Arieh Warshel

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Primary Nucleation Kinetics of Short Fibril-Forming Amyloidogenic Peptides 由 Jurriaan A. Luiken, Peter G. Bolhuis

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Structured Crowding and Its Effects on Enzyme Catalysis 由 Buyong Ma, Ruth Nussinov

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Interfacial Activation of <i>Candida antarctica</i> Lipase B: Combined Evidence from Experiment and Simulation 由 Themistoklis Zisis, Peter L. Freddolino, Petri Turunen, Muriel C. F. van Teeseling, Alan E. Rowan, Kerstin G. Blank

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Searching target sites on DNA by proteins: Role of DNA dynamics under confinement 由 Anupam Mondal, Arnab Bhattacherjee

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The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen 由 Rodrigo Ligabue‐Braun, Liana G. Sachett, Laércio Pol Fachin, Hugo Verli

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Examining the Mechanical Equilibrium of Microscopic Stresses in Molecular Simulations 由 Alejandro Torres-Sánchez, Juan M. Vanegas, Marino Arroyo

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Insights into the binding of intrinsically disordered proteins from molecular dynamics simulation 由 Christopher M. Baker, Robert B. Best

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MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes 由 Phillip J. Stansfeld, Joseph E. Goose, Martin Caffrey, Elisabeth P. Carpenter, Joanne L. Parker, Simon Newstead, Mark S.P. Sansom

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Enzymes: An integrated view of structure, dynamics and function 由 Pratul K. Agarwal

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iAPBS: a programming interface to the adaptive Poisson–Boltzmann solver 由 Robert Konečný, Nathan Baker, J. Andrew McCammon

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Mapping the Dynamics Landscape of Conformational Transitions in Enzyme: The Adenylate Kinase Case 由 Dechang Li, Ming S. Liu, Baohua Ji

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Understanding DNA under oxidative stress and sensitization: the role of molecular modeling 由 Élise Dumont, Antonio Monari

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GENESIS: a hybrid‐parallel and multi‐scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations 由 Jaewoon Jung, Takaharu Mori, Chigusa Kobayashi, Yasuhiro Matsunaga, Takao Yoda, Michael Feig, Yuji Sugita

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Dynamics in electron transfer protein complexes 由 Qamar Bashir, Sandra Scanu, Marcellus Ubbink

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