BETA: Related publications

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MacKenzie DWS, Schaefer A, Steckner J, et al. (2022) A fine balance of hydrophobic-electrostatic communication pathways in a pH-switching protein. Proceedings of the National Academy of Sciences of the United States of America. 119: e2119686119
Peiffer AL, Garlick JM, Joy ST, et al. (2022) Allostery in the dynamic coactivator domain KIX occurs through minor conformational micro-states. Plos Computational Biology. 18: e1009977
Brooks CL, Case DA, Plimpton S, et al. (2021) Classical molecular dynamics. The Journal of Chemical Physics. 154: 100401
Paul TJ, Vilseck JZ, Hayes RL, et al. (2020) Exploring pH Dependent Host/Guest Binding Affinities. The Journal of Physical Chemistry. B
Ding X, Wu Y, Wang Y, et al. (2020) Accelerated CDOCKER with GPUs, parallel simulated annealing and fast Fourier transforms. Journal of Chemical Theory and Computation
Torabifard H, Panahi A, Brooks CL. (2020) M2 amphipathic helices facilitate pH-dependent conformational transition in influenza A virus. Proceedings of the National Academy of Sciences of the United States of America
Gong X, Chiricotto M, Liu X, et al. (2019) Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units. Journal of Computational Chemistry
Ding X, Zou Z, Brooks CL. (2019) Deciphering protein evolution and fitness landscapes with latent space models Nature Communications. 10: 5644
Wang Y, Brooks CL. (2019) Enhanced Sampling Applied to Modeling Allosteric Regulation in Transcription. The Journal of Physical Chemistry Letters
Deng H, Ke S, Callender R, et al. (2019) Computational Studies of Catalytic Loop Dynamics in Protein Tyrosine Phosphatase Using Pathway Optimization Methods. The Journal of Physical Chemistry. B
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