Charles L. Brooks, III
Affiliations: | University of Michigan, Ann Arbor, Ann Arbor, MI |
Area:
computational biophysicsWebsite:
https://lsa.umich.edu/chem/people/faculty/brookscl.htmlGoogle:
"Charles L. Brooks III"Bio:
http://brooks.chem.lsa.umich.edu/index.php?page=charles_l._brooks_iii&subdir=articles/group
http://scholar.google.com/citations?user=XWNjq2AAAAAJ&hl=en
Cross-listing: MichiganTree
Parents
Sign in to add mentorSteven A. Adelman | grad student | 1982 | Purdue |
Martin Karplus | post-doc | 1982-1985 | Harvard |
Children
Sign in to add traineeCollaborators
Sign in to add collaboratorAyyalusamy Ramamoorthy | collaborator | University of Michigan |
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Publications
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Hwang W, Austin SL, Blondel A, et al. (2024) CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The Journal of Physical Chemistry. B |
Gartan P, Khorsand F, Mizar P, et al. (2024) Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3. Journal of Chemical Information and Modeling |
Buckner J, Liu X, Chakravorty A, et al. (2023) pyCHARMM: Embedding CHARMM Functionality in a Python Framework. Journal of Chemical Theory and Computation |
Liu X, Tsang PK, Soellner MB, et al. (2023) QSAR via Multisite λ-Dynamics in the Orphaned TSSK1B Kinase. Protein Science : a Publication of the Protein Society. e4623 |
Chakravorty A, McCalpin SD, Sahoo BR, et al. (2022) Free Gangliosides Can Alter Amyloid-β Aggregation. The Journal of Physical Chemistry Letters. 9303-9308 |
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 |