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Publications @ Caltech





Comparison of random mutagenesis and semi-rational designed libraries for improved cytochrome P450 BM3-catalyzed hydroxylation of small alkanes

Mike Chen, Christopher Snow, Christina Vizcarra, Stephen Mayo, and Frances Arnold. Protein Eng. Des. Sel. (2012)




Engineered ketol-acid reductoisomerase and alcohol dehydrogenase enable anaerobic 2-methypropan-1-ol production at theoretical yield in Escherichia coli

Sabine Bastian, Xiang Liu, Joseph Meyerowitz, Christopher Snow, Mike Chen, Frances Arnold. Metab. Eng. (2011), 13, 345-352.




Polarizable Protein Packing

Albert Ng and Christopher Snow J. Comp. Chem. (2011), 32, 1334-1344.




Combinatorial alanine substitution enables rapid optimization of cytochrome P450BM3 for selective hydroxylation of large substrates

Jared Lewis, Simone Mantovani, Yu Fu, Christopher Snow, Russell Komor, Chi-Huey Wong, and Frances Arnold. Chem. BioChem. (2010), 11, 2502-2505.




Efficient screening of fungal cello-biohydrolase class I enzymes for thermo-stabilizing sequence blocks by SCHEMA structure-guided recombination

Pete Heinzelman, Russell Komor, Arvind Kanaan, Philip Romero, Xinlin Yu, Shannon Mohler, Christopher Snow and Frances Arnold. Protein Engineering, Design and Selection (2010) dio: 10.1093/protein/gzq063




SCHEMA Recombination of a Fungal Cellulase Uncovers a Single Mutation that Contributes Markedly to Stability

Pete Heinzelman, Christopher D. Snow, Matthew A. Smith, Xinlin Yu, Arbind Kannan, Kevin Boulware, Alan Villalobos, Sridhar Govindarajan, Jeremy Minshull, and Frances H. Arnold. J. Biol. Chem. (2009) 284:26229-26233.




A Family of Thermostable Fungal Cellulases Created by Structure-Guided Recombination

Pete Heinzelman, Christopher D. Snow, Indira Wu, Catherine Nguyen, Alan Villalobos, Sridhar Govindarajanm Jeremy Minshull and Frances H. Arnold. Proc. Natl. Acad. Sci. USA (2009) 106(14):5610-5615.




SHARPEN: Systematic Hierarchical Algorithms for Rotamers and Proteins on an Extended Network

Ilya V. Loksha, James R. Maiolo III, Cheng Hong, Albert Ng, and Christopher D. Snow. Journal of Computational Chemistry (2009) 30(6):999-1005.




Evolutionary history of the emergence of a specialized cytochrome P450 propane mono-oxygenase

Rudi Fasan, Yergalem T. Meharenna, Christopher D. Snow, Thomas L. Poulos, and Frances H. Arnold. Journal of Molecular Biology (2008) 383(5), 1069-1080.




Hunting for predictive computational drug discovery models

Christopher D. Snow. Expert Review of Anti-infective Therapy (2008) 6(3)




A diverse family of thermostable cytochrome P450s created by recombination of stabilizing fragments

Yougen Li, Alan D. Drummond, Andrew M. Sawayama, Christopher D. Snow, Jesse D. Bloom, Frances H. Arnold. Nature Biotechnology (2007)


Publications @ Stanford





Non-bulk-like Solvent Behavior in the Ribosome Exit Tunnel

Del Lucent, Christopher Snow, Colin Aitken, Eric Sorin, Sung-Joo Lee & Vijay S. Pande. PLoS Comp. Bio. (2010), 6, e1000963.

Side-chain recognition and gating in the ribosome exit tunnel

Paula Petrone, Christopher D. Snow, Del Lucent & Vijay S. Pande. Proc. Natl. Acad. Sci. USA (2008) 105(43), 16549-16554.




Electric Fields at the Active Site of an Enzyme: Direct Comparison of Experiment with Theory

Ian Suydam, Christopher D. Snow, Vijay S. Pande & Stephen G. Boxer. Science (2006)




Kinetic Definition of Protein Folding Transition State Ensembles and Reaction Coordinates

Christopher D. Snow, Young Min Rhee, & Vijay S. Pande. Biophysical Journal (2006)




Direct calculation of the binding free energies of FKBP ligands

Hideaki Fujitani, Yoshiaki Tanida, Masakatsu Ito, Guha Jayachandran, Christopher D. Snow, Michael R. Shirts, Eric J. Sorin, & Vijay S. Pande. Journal of Chemical Physics (2005) 123(8),084108

How well can simulation predict kinetics and thermodynamics of protein folding?

Christopher D. Snow, Eric Sorin, Young Min Rhee, & Vijay S. Pande. Annual Review of Biophysics and Biomolecular Structure




Dimerization of the p53 oligomerization domain: Identification of a folding nucleus by molecular dynamics simulations

Lillian T. Chong, Christopher D. Snow, Young Min Rhee, & Vijay S. Pande. Journal of Molecular Biology (2004) 345(4), 869-78.




Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy

Christopher D. Snow, Linlin Qiu, Deguo Du, Feng Gai, Stephen J. Hagen, & Vijay S. Pande. Proc. Natl. Acad. Sci. USA (2004) 101(12), 4077-4082.

Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin

Nina Singhal, Christopher D. Snow, and Vijay S. Pande. The Journal of Chemical Physics (2004) 121(1) 415-425.






Absolute comparison of simulated and experimental protein-folding dynamics

Christopher D. Snow, Houbi Nguyen, Vijay S. Pande, Martin Gruebele. Nature AOP, published online 20 October 2002; doi:10.1038/nature01160. Nature (2002) 420(6911), 102-106.


Up Front: Science Behind the Screens

HHMI Bulletin - M. Mitchell Waldrop

The Trp Cage: Folding Kinetics and Unfolded State Topology via Molecular Dynamics Simulations

Christopher D. Snow, Bojan Zagrovic, Vijay S. Pande. J. Am. Chem. Soc. (2002) 124(49), 14548-14549.



Native-like Mean Structure in the Unfolded Ensemble of Small Proteins

Bojan Zagrovic, Christopher D. Snow, Siraj Khaliq, Michael R. Shirts, Vijay S. Pande. J. Mol. Biol. (2002) 323(1), 153-164.

Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing

Bojan Zagrovic, Christopher D. Snow, Michael R. Shirts, Vijay S. Pande. J. Mol. Biol. (2002) 323(5), 927-937.

Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing

Vijay S. Pande, Ian Baker, Jarrod Chapman, Sidney Elmer, Stefan M. Larson, Young Min Rhee, Michael R. Shirts, Christopher D. Snow, Eric J. Sorin, Bojan Zagrovic. Biopolymers (2002) 68(1): 91-109.


Folding@Home and Genome@Home: Using distributed computing to tackle previously intractable problems in computational biology

Stefan M. Larson, Christopher D. Snow, Michael R. Shirts, Vijay S. Pande. Computational Genomics, Richard Grant, editor, Horizon Press
Publications @ MIT





Surface Salt Bridges, Double-Mutant Cycles, and Protein Stability: an Experimental and Computational Analysis of the Interaction of the Asp 23 Side Chain with the N-Terminus of the N-Terminal Domain of the Ribosomal Protein L9

Donna L. Luisi, Christopher D. Snow, Jo-Jin Lin, Zachary S. Hendsch, Bruce Tidor, Daniel P. Raleigh. Biochemistry (2003) 42(23), 7050-7060.