Mikolai Fajer
Affiliations: | 2011 | Chemistry | University of California, San Diego, La Jolla, CA |
Google:
"Mikolai Fajer"Mean distance: 8.42
Parents
Sign in to add mentor| J. Andrew McCammon | grad student | 2011 | UCSD | |
| (Accelerating Conformational Sampling in Free Energy Calculations.) | ||||
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Zhang BW, Fajer M, Chen W, et al. (2024) Leveraging the Thermodynamics of Protein Conformations in Drug Discovery. Journal of Chemical Information and Modeling |
| Fajer M, Borrelli K, Abel R, et al. (2023) Quantitatively Accounting for Protein Reorganization in Computer-Aided Drug Design. Journal of Chemical Theory and Computation |
| Gerlits O, Fajer M, Cheng X, et al. (2022) Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering. Structure (London, England : 1993). 30: 1538-1549.e3 |
| Blumenthal DK, Cheng X, Fajer M, et al. (2021) Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effects. The Journal of Biological Chemistry. 101007 |
| Fajer M, Meng Y, Roux B. (2016) The Activation of c-Src Tyrosine Kinase: Conformational Transition Pathway and Free Energy Landscape. The Journal of Physical Chemistry. B |
| Wu D, Fajer MI, Cao L, et al. (2016) Generalized Ensemble Sampling of Enzyme Reaction Free Energy Pathways. Methods in Enzymology. 577: 57-74 |
| Fajer P, Fajer M, Zawrotny M, et al. (2015) Full Atom Simulations of Spin Label Conformations. Methods in Enzymology. 563: 623-42 |
| Jiang W, Phillips JC, Huang L, et al. (2014) Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD. Computer Physics Communications. 185: 908-916 |
| Fajer M, Meng Y, Roux B. (2014) Simulation of the Conformational Transition Pathway for the Activation of Full-Length C-Src Kinase using the String Method Biophysical Journal. 106: 639a-640a |
| Jiang W, Phillips J, Huang L, et al. (2014) Generalized Scalable Multiple Copy Algorithms for Biological Molecular Dynamics Simulations in NAMD Biophysical Journal. 106: 412a |