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Michael Feig Recent Publications

Feig M, Burton ZF. RNA polymerase II flexibility during translocation from normal mode analysis. Proteins. 2009 Aug 5. [Epub ahead of print.]

Mukherjee S, Feig M. Conformational change in MSH2-MSH6 upon binding DNA coupled to ATPase activity. Biophys J. (2009) 96(11):L63-5.

Zavodszky MI, Stumpff-Kane AW, Lee DJ, Feig M. Scoring confidence index: statistical evaluation of ligand binding mode predictions. J Comput Aided Mol Des. (2009) 23(5):289-99.

Mukherjee S, Law SM, Feig M. Deciphering the mismatch recognition cycle in MutS and MSH2-MSH6 using normal-mode analysis. Biophys J. (2009) 96(5):1707-20.

Tanizaki, S, Clifford, J, Connelly, B, Feig, M. Conformational Sampling of Peptides in Cellular Environments. Biophysical Journal (2008) 94:747-759.

Feig M. Implicit membrane models for membrane protein simulation. Methods Mol Biol. (2008) 443:181-96.

Imamura D, Zhou R, Feig M, Kroos L. Evidence that the Bacillus subtilis SpoIIGA protein is a novel type of signal-transducing aspartic protease. J Biol Chem. (2008) 283(22):15287-99.

Kitiyaporn Wittayanarakul, Supot Hannongbua, Michael Feig Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors. Journal of Computational Chemistry (2008) 29(5):673-685.

Zhou YC, Feig M, Wei GW. Highly accurate biomolecular electrostatics in continuum dielectric environments. J Comput Chem. (2008) Jan 15;291:87-97.

Tanizaki S, Clifford JW, Connelly BD, Feig M. Conformational Sampling of Peptides in Cellular Environments. Biophys J. (2008) Feb 1;94 3:747-59.

Olson MA, Feig M, Brooks CL 3rd. Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions. J Comput Chem. (2008):29(5):820-831.

Wittayanarakul K, Hannongbua S, Feig M. Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors. J Comput Chem. (2008):29(5):673-85.

Stumpff-Kane AW, Maksimiak K, Lee MS, Feig M. Sampling of near-native protein conformations during protein structure refinement using a coarse-grained model, normal modes, and molecular dynamics simulations. Proteins. (2007) Sep 17;70(4):1345-1356.

Feig, M. Kinetics from Implicit Solvent Simulations of Biomolecules as a Function of Viscosity Journal of Chemical Theory and Computation (2007) 3, 1734-1748.

Montero-Moran GM, Li M, Rendon-Huerta E, Jourdan F, Lowe DJ, Stumpff-Kane AW, Feig M, Scazzocchio C, Hausinger RP. Purification and Characterization of the Fe(II)- and alpha-Ketoglutarate-Dependent Xanthine Hydroxylase from Aspergillus nidulans. Biochemistry. (2007) 8;46(18):5293-5304.

Chocholousova J, Feig M. Implicit solvent simulations of DNA and DNA-protein complexes: agreement with explicit solvent vs experiment. J Phys Chem B. (2006) 110(34):17240-51.

Jawdekar GW, Hanzlowsky A, Hovde SL, Jelencic B, Feig M, Geiger JH, Henry RW. The unorthodox SNAP50 zinc finger domain contributes to cooperative promoter recognition by human SNAPC. J Biol Chem. (2006) 281(41):31050-60.

Muller TA, Zavodszky MI, Feig M, Kuhn LA, Hausinger RP. Structural basis for the enantiospecificities of R- and S-specific phenoxypropionate/alpha-ketoglutarate dioxygenases. Protein Sci. (2006) 15(6):1356-68.

Jankun J, Aleem AM, Malgorzewicz S, Szkudlarek M, Zavodszky MI, Dewitt DL, Feig M, Selman SH, Skrzypczak-Jankun E. Synthetic curcuminoids modulate the arachidonic acid metabolism of human platelet 12-lipoxygenase and reduce sprout formation of human endothelial cells. Mol Cancer Ther. (2006) 5(5):1371-82.

Seiichiro Tanizaki, Michael Feig. Molecular Dynamics Simulations of Large Integral Membrane Proteins with an Implicit Membrane Model. Journal of Physical Chemistry B (2005) 110 548-556.

Andrew Stumpff-Kane, Michael Feig. A Correlation-Based Method for the Enhancement of Scoring Functions on Funnel-Shaped Energy Landscapes Proteins (2005) 2006 Jan 5; [Epub ahead of print].

Jana Chocholousova, Michael Feig. Balancing an Accurate Representation of the Molecular Surface in Generalized Born Formalisms with Integrator Stability in Molecular Dynamics Simulations Journal of Computational Chemistry (2005) in press.

Burton ZF, Feig M, Gong XQ, Zhang C, Nedialkov YA, Xiong Y. NTP-driven translocation and regulation of downstream template opening by multi-subunit RNA polymerases. Biochem Cell Biol. 2005 Aug;83(4):486-96. Review. Abstract.

Michael Feig, John Karanicolas, Charles L. Brooks III: MMTSB Tool Set: Enhanced Sampling and Multiscale Modeling Methods for Applications in Structural Biology Journal of Molecular Graphics and Modeling (2004) 22, 377-395. Abstract.

Michael Feig, Alexander D. MacKerell jr., Charles L. Brooks III: The force field influence on the observation of pi-helical protein structures in molecular dynamics simulations Journal of Physical Chemistry B (2003) 107, 2831-2836. Adobe pdf.

Michael S. Lee, Michael Feig, Freddie R. Salsbury jr., Charles L. Brooks III: A New Analytical Approximation to the Standard Molecular Volume Definition And Its Application to Generalized Born Calculations Journal of Computational Chemistry (2003) 24, 1348-1356. Adobe pdf.

Michael Feig, B. Montgomery Pettitt: Sodium and Chlorine Ions as Part of the DNA Solvation Shell Biophysical Journal (1999) 77, 1769-1781. Adobe pdf.

Michael Feig, B. Montgomery Pettitt: Modeling High Resolution Hydration Patterns in Correlation with DNA Sequence and Conformation Journal of Molecular Biology (1999) 286, 1075-1095. Adobe pdf.