Mikolai Fajer - Publications

2011 Chemistry University of California, San Diego, La Jolla, CA 

9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Fajer P, Fajer M, Zawrotny M, Yang W. Full Atom Simulations of Spin Label Conformations. Methods in Enzymology. 563: 623-42. PMID 26478501 DOI: 10.1016/bs.mie.2015.07.030  0.32
2014 Jiang W, Phillips JC, Huang L, Fajer M, Meng Y, Gumbart JC, Luo Y, Schulten K, Roux B. Generalized Scalable Multiple Copy Algorithms for Molecular Dynamics Simulations in NAMD. Computer Physics Communications. 185: 908-916. PMID 24944348 DOI: 10.1016/j.cpc.2013.12.014  0.32
2013 Rogers KE, Ortiz-Sánchez JM, Baron R, Fajer M, de Oliveira CA, McCammon JA. On the Role of Dewetting Transitions in Host-Guest Binding Free Energy Calculations. Journal of Chemical Theory and Computation. 9: 46-53. PMID 23316123 DOI: 10.1021/ct300515n  0.32
2013 Arrar M, de Oliveira CA, Fajer M, Sinko W, McCammon JA. w-REXAMD: A Hamiltonian Replica Exchange Approach to Improve Free Energy Calculations for Systems with Kinetically Trapped Conformations. Journal of Chemical Theory and Computation. 9: 18-23. PMID 23316122 DOI: 10.1021/ct300896h  0.32
2009 Fajer M, Swift RV, McCammon JA. Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics. Journal of Computational Chemistry. 30: 1719-25. PMID 19421994 DOI: 10.1002/jcc.21285  0.32
2008 Khavrutskii IV, Fajer M, McCammon JA. Intrinsic Free Energy of the Conformational Transition of the KcsA Signature Peptide from Conducting to Nonconducting State. Journal of Chemical Theory and Computation. 4: 1541-1554. PMID 20357907 DOI: 10.1021/ct800086s  0.32
2008 Fajer M, Hamelberg D, McCammon JA. Replica-Exchange Accelerated Molecular Dynamics (REXAMD) Applied to Thermodynamic Integration. Journal of Chemical Theory and Computation. 4: 1565-1569. PMID 19461870 DOI: 10.1021/ct800250m  0.32
2007 Fajer MI, Li H, Yang W, Fajer PG. Mapping electron paramagnetic resonance spin label conformations by the simulated scaling method. Journal of the American Chemical Society. 129: 13840-6. PMID 17948993 DOI: 10.1021/ja071404v  0.32
2007 Li H, Fajer M, Yang W. Simulated scaling method for localized enhanced sampling and simultaneous "alchemical" free energy simulations: a general method for molecular mechanical, quantum mechanical, and quantum mechanical/molecular mechanical simulations. The Journal of Chemical Physics. 126: 024106. PMID 17228942 DOI: 10.1063/1.2424700  0.32
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