Absolute comparison of simulated and experimental protein-folding dynamics CD Snow, H Nguyen, VS Pande, M Gruebele nature 420 (6911), 102-106, 2002 | 824 | 2002 |
Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing VS Pande, I Baker, J Chapman, SP Elmer, S Khaliq, SM Larson, YM Rhee, ... Biopolymers: Original Research on Biomolecules 68 (1), 91-109, 2003 | 483 | 2003 |
Folding@ Home and Genome@ Home: Using distributed computing to tackle previously intractable problems in computational biology SM Larson, CD Snow, M Shirts, VS Pande arXiv preprint arXiv:0901.0866, 2009 | 426 | 2009 |
Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing B Zagrovic, CD Snow, MR Shirts, VS Pande Journal of molecular biology 323 (5), 927-937, 2002 | 387 | 2002 |
Electric fields at the active site of an enzyme: Direct comparison of experiment with theory IT Suydam, CD Snow, VS Pande, SG Boxer science 313 (5784), 200-204, 2006 | 356 | 2006 |
Engineered ketol-acid reductoisomerase and alcohol dehydrogenase enable anaerobic 2-methylpropan-1-ol production at theoretical yield in Escherichia coli S Bastian, X Liu, JT Meyerowitz, CD Snow, MMY Chen, FH Arnold Metabolic engineering 13 (3), 345-352, 2011 | 345 | 2011 |
A family of thermostable fungal cellulases created by structure-guided recombination P Heinzelman, CD Snow, I Wu, C Nguyen, A Villalobos, S Govindarajan, ... Proceedings of the National Academy of Sciences 106 (14), 5610-5615, 2009 | 341 | 2009 |
Using path sampling to build better Markovian state models: Predicting the folding rate and mechanism of a tryptophan zipper beta hairpin N Singhal, CD Snow, VS Pande The Journal of chemical physics 121 (1), 415-425, 2004 | 323 | 2004 |
How well can simulation predict protein folding kinetics and thermodynamics? CD Snow, EJ Sorin, YM Rhee, VS Pande Annu. Rev. Biophys. Biomol. Struct. 34, 43-69, 2005 | 310 | 2005 |
The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulations CD Snow, B Zagrovic, VS Pande Journal of the American Chemical Society 124 (49), 14548-14549, 2002 | 304 | 2002 |
Evolutionary history of a specialized P450 propane monooxygenase R Fasan, YT Meharenna, CD Snow, TL Poulos, FH Arnold Journal of molecular biology 383 (5), 1069-1080, 2008 | 262 | 2008 |
Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy CD Snow, L Qiu, D Du, F Gai, SJ Hagen, VS Pande Proceedings of the National Academy of Sciences 101 (12), 4077-4082, 2004 | 233 | 2004 |
Direct calculation of the binding free energies of FKBP ligands H Fujitani, Y Tanida, M Ito, G Jayachandran, CD Snow, MR Shirts, ... The Journal of chemical physics 123 (8), 2005 | 223 | 2005 |
A diverse family of thermostable cytochrome P450s created by recombination of stabilizing fragments Y Li, DA Drummond, AM Sawayama, CD Snow, JD Bloom, FH Arnold Nature biotechnology 25 (9), 1051-1056, 2007 | 214 | 2007 |
Native-like mean structure in the unfolded ensemble of small proteins B Zagrovic, CD Snow, S Khaliq, MR Shirts, VS Pande Journal of molecular biology 323 (1), 153-164, 2002 | 209 | 2002 |
SCHEMA recombination of a fungal cellulase uncovers a single mutation that contributes markedly to stability P Heinzelman, CD Snow, MA Smith, X Yu, A Kannan, K Boulware, ... Journal of Biological Chemistry 284 (39), 26229-26233, 2009 | 143 | 2009 |
General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH S Brinkmann-Chen, T Flock, JKB Cahn, CD Snow, EM Brustad, ... Proceedings of the National Academy of Sciences 110 (27), 10946-10951, 2013 | 127 | 2013 |
Combinatorial alanine substitution enables rapid optimization of cytochrome P450BM3 for selective hydroxylation of large substrates JC Lewis, SM Mantovani, Y Fu, CD Snow, RS Komor, CH Wong, ... Chembiochem: a European journal of chemical biology 11 (18), 2502, 2010 | 125 | 2010 |
Efficient screening of fungal cellobiohydrolase class I enzymes for thermostabilizing sequence blocks by SCHEMA structure-guided recombination P Heinzelman, R Komor, A Kanaan, P Romero, X Yu, S Mohler, C Snow, ... Protein Engineering, Design & Selection 23 (11), 871-880, 2010 | 122 | 2010 |
Comparison of random mutagenesis and semi-rational designed libraries for improved cytochrome P450 BM3-catalyzed hydroxylation of small alkanes MMY Chen, CD Snow, CL Vizcarra, SL Mayo, FH Arnold Protein Engineering, Design & Selection 25 (4), 171-178, 2012 | 114 | 2012 |