Fibril Elongation by Aβ17–42: Kinetic Network Analysis of Hybrid-Resolution Molecular Dynamics Simulations von Han, Wei, Schulten, Klaus

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Physical properties of the HIV-1 capsid from all-atom molecular dynamics simulations von Perilla, Juan R., Schulten, Klaus

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Single-Molecule Experiments in Vitro and in Silico von Sotomayor, Marcos, Schulten, Klaus

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Membrane sculpting by F-BAR domains studied by molecular dynamics simulations von Yu, Hang, Schulten, Klaus

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Mechanism of Substrate Translocation by a Ring-Shaped ATPase Motor at Millisecond Resolution von Ma, Wen, Schulten, Klaus

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Further Optimization of a Hybrid United-Atom and Coarse-Grained Force Field for Folding Simulations: Improved Backbone Hydration and Interactions between Charged Side Chains von Han, Wei, Schulten, Klaus

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Light harvesting complex II B850 excitation dynamics von Strümpfer, Johan, Schulten, Klaus

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Molecular mechanism of extreme mechanostability in a pathogen adhesin von Milles, Lukas F, Schulten, Klaus, Gaub, Hermann E, Bernardi, Rafael C

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Rapid parameterization of small molecules using the force field toolkit von Mayne, Christopher G., Saam, Jan, Schulten, Klaus, Tajkhorshid, Emad, Gumbart, James C.

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Advances in the molecular dynamics flexible fitting method for cryo-EM modeling von McGreevy, Ryan, Teo, Ivan, Singharoy, Abhishek, Schulten, Klaus

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Calculating potentials of mean force from steered molecular dynamics simulations von Park, Sanghyun, Schulten, Klaus

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Excited state dynamics in photosynthetic reaction center and light harvesting complex 1 von Strümpfer, Johan, Schulten, Klaus

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Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics von Zhao, Gongpu, Perilla, Juan R., Yufenyuy, Ernest L., Meng, Xin, Chen, Bo, Ning, Jiying, Ahn, Jinwoo, Gronenborn, Angela M., Schulten, Klaus, Aiken, Christopher, Zhang, Peijun

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Chemomechanical Coupling in Hexameric Protein–Protein Interfaces Harnesses Energy within V‑Type ATPases von Singharoy, Abhishek, Chipot, Christophe, Moradi, Mahmoud, Schulten, Klaus

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From Atomistic Modeling to Excitation Transfer and Two-Dimensional Spectra of the FMO Light-Harvesting Complex von Olbrich, Carsten, Jansen, Thomas L. C, Liebers, Jörg, Aghtar, Mortaza, Strümpfer, Johan, Schulten, Klaus, Knoester, Jasper, Kleinekathöfer, Ulrich

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Structure of the human 26S proteasome at a resolution of 3.9 Å von Schweitzer, Andreas, Aufderheide, Antje, Rudack, Till, Beck, Florian, Pfeifer, Günter, Plitzko, Jürgen M., Sakata, Eri, Schulten, Klaus, Förster, Friedrich, Baumeister, Wolfgang

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Theory and Simulation of the Environmental Effects on FMO Electronic Transitions von Olbrich, Carsten, Strümpfer, Johan, Schulten, Klaus, Kleinekathöfer, Ulrich

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Discovery Through the Computational Microscope von Lee, Eric H., Hsin, Jen, Sotomayor, Marcos, Comellas, Gemma, Schulten, Klaus

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Common Structural Transitions in Explicit-Solvent Simulations of Villin Headpiece Folding von Freddolino, Peter L., Schulten, Klaus

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The effect of correlated bath fluctuations on exciton transfer von Strümpfer, Johan, Schulten, Klaus

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