Klein, Michael L.

Using collective variables to drive molecular dynamics simulations

Fiorin, G., Klein, M. L., & Hénin, J. (2013) · Molecular Physics

Advanced Physical and Chemical Molecular InteractionsProtein Structure and Dynamics

Cited by 1,053

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

Chen, M., Zheng, L., Santra, B., Ko, H.-Y., DiStasio Jr, R. A., Klein, M. L., Car, R., & Wu, X. (2018) · Nature Chemistry

Spectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics Studies

Cited by 283

Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory

Cournia, Z., Allen, T. W., Andricioaei, I., Antonny, B., Baum, D., Brannigan, G., Buchete, N.-V., Deckman, J. T., Delemotte, L., del Val, C., et al. (2015) · The Journal of Membrane Biology

Lipid Membrane Structure and BehaviorProtein Structure and Dynamics

Cited by 235

Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

Bankura, A., Karmakar, A., Carnevale, V., Chandra, A., & Klein, M. L. (2014) · The Journal of Physical Chemistry C

Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical Studies

Cited by 166

Nanoparticle shape improves delivery: rational coarse grain molecular dynamics (rCG-MD) of taxol in worm-like PEG-PCL micelles

Loverde, S. M., Klein, M. L., & Discher, D. E. (2012) · Advanced Materials

Nanoparticle-Based Drug DeliveryDendrimers and Hyperbranched Polymers

Cited by 162

Onion-like glycodendrimersomes from sequence-defined Janus glycodendrimers and influence of architecture on reactivity to a lectin

Xiao, Q., Zhang, S., Wang, Z., Sherman, S. E., Moussodia, R.-O., Peterca, M., Muncan, A., Williams, D. R., Hammer, D. A., Vértesy, S., et al. (2016) · Proceedings of the National Academy of Sciences

Dendrimers and Hyperbranched PolymersCarbohydrate Chemistry and Synthesis

Cited by 100

Modulation of a voltage-gated Na + channel by sevoflurane involves multiple sites and distinct mechanisms

Barber, A. F., Carnevale, V., Klein, M. L., Eckenhoff, R. G., & Covarrubias, M. (2014) · Proceedings of the National Academy of Sciences

Ion channel regulation and functionAnesthesia and Sedative Agents

Cited by 60