BETA: Related publications

Publications

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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
Wang Y, Brooks CL. (2020) Electrostatic Forces Control the Negative Allosteric Regulation in a Disordered Protein Switch. The Journal of Physical Chemistry Letters
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
Wang Y, Brooks CL. (2019) Enhanced Sampling Applied to Modeling Allosteric Regulation in Transcription. The Journal of Physical Chemistry Letters
Vilseck JZ, Sohail N, Hayes RL, et al. (2019) Overcoming Challenging Substituent Perturbations with Multisite λ-Dynamics: A Case Study Targeting β-Secretase 1. The Journal of Physical Chemistry Letters
Halloran KT, Wang Y, Arora K, et al. (2019) Frustration and folding of a TIM barrel protein. Proceedings of the National Academy of Sciences of the United States of America
Ding X, Vilseck JZ, Brooks CL. (2019) A Fast Solver for Large Scale Multistate Bennett Acceptance Ratio Equations. Journal of Chemical Theory and Computation
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