Published in J Am Chem Soc on July 01, 2008
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Direct revelation of multiple conformations in RNA by femtosecond dynamics. J Am Chem Soc (2007) 1.03
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Molecular simulation of ab initio protein folding for a millisecond folder NTL9(1-39). J Am Chem Soc (2010) 3.18
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A microRNA miR-34a-regulated bimodal switch targets Notch in colon cancer stem cells. Cell Stem Cell (2013) 2.68
Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science (2009) 2.68
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Using generalized ensemble simulations and Markov state models to identify conformational states. Methods (2009) 2.60
Electric fields at the active site of an enzyme: direct comparison of experiment with theory. Science (2006) 2.32
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Using path sampling to build better Markovian state models: predicting the folding rate and mechanism of a tryptophan zipper beta hairpin. J Chem Phys (2004) 2.30
Protein folded states are kinetic hubs. Proc Natl Acad Sci U S A (2010) 2.27
Predicting small-molecule solvation free energies: an informal blind test for computational chemistry. J Med Chem (2008) 2.27
The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulations. J Am Chem Soc (2002) 2.26
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Using massively parallel simulation and Markovian models to study protein folding: examining the dynamics of the villin headpiece. J Chem Phys (2006) 2.22
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Genome sequences of three agrobacterium biovars help elucidate the evolution of multichromosome genomes in bacteria. J Bacteriol (2009) 1.96
Simulations of the role of water in the protein-folding mechanism. Proc Natl Acad Sci U S A (2004) 1.95
Atomistic folding simulations of the five-helix bundle protein λ(6−85). J Am Chem Soc (2011) 1.94
Therapeutic potential of human umbilical cord mesenchymal stem cells in the treatment of rheumatoid arthritis. Arthritis Res Ther (2010) 1.90
Direct calculation of the binding free energies of FKBP ligands. J Chem Phys (2005) 1.88
Spatial Pyramid Pooling in Deep Convolutional Networks for Visual Recognition. IEEE Trans Pattern Anal Mach Intell (2015) 1.78
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High serum IL-21 levels after 12 weeks of antiviral therapy predict HBeAg seroconversion in chronic hepatitis B. J Hepatol (2011) 1.74
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Faster R-CNN: Towards Real-Time Object Detection with Region Proposal Networks. IEEE Trans Pattern Anal Mach Intell (2016) 1.73
Identification of influenza A nucleoprotein as an antiviral target. Nat Biotechnol (2010) 1.71
Error analysis and efficient sampling in Markovian state models for molecular dynamics. J Chem Phys (2005) 1.70
Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements. J Chem Theory Comput (2012) 1.68
Genome sequence of Azotobacter vinelandii, an obligate aerobe specialized to support diverse anaerobic metabolic processes. J Bacteriol (2009) 1.64
Quantitative analysis of HBV DNA level and HBeAg titer in hepatitis B surface antigen positive mothers and their babies: HBeAg passage through the placenta and the rate of decay in babies. J Med Virol (2003) 1.63
The Fip35 WW domain folds with structural and mechanistic heterogeneity in molecular dynamics simulations. Biophys J (2009) 1.58
Cytogenetic prognostication within medulloblastoma subgroups. J Clin Oncol (2014) 1.56
Efficient nonbonded interactions for molecular dynamics on a graphics processing unit. J Comput Chem (2010) 1.55
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Surgical treatment strategies in chronic pancreatitis: a meta-analysis. Arch Surg (2012) 1.54
Markov state model reveals folding and functional dynamics in ultra-long MD trajectories. J Am Chem Soc (2011) 1.54
Calculation of the distribution of eigenvalues and eigenvectors in Markovian state models for molecular dynamics. J Chem Phys (2007) 1.53
Assessment of the protein-structure refinement category in CASP8. Proteins (2009) 1.53
Can conformational change be described by only a few normal modes? Biophys J (2005) 1.53
Empirical force-field assessment: The interplay between backbone torsions and noncovalent term scaling. J Comput Chem (2005) 1.51
Benzyl 3-[(E)-1-(pyrazin-2-yl)ethyl-idene]dithio-carbazate. Acta Crystallogr Sect E Struct Rep Online (2011) 1.50
miR-200a regulates Nrf2 activation by targeting Keap1 mRNA in breast cancer cells. J Biol Chem (2011) 1.50
miR-23a promotes the transition from indolent to invasive colorectal cancer. Cancer Discov (2012) 1.49
Accurate and efficient corrections for missing dispersion interactions in molecular simulations. J Phys Chem B (2007) 1.49
Ensemble molecular dynamics yields submillisecond kinetics and intermediates of membrane fusion. Proc Natl Acad Sci U S A (2006) 1.48
RNA simulations: probing hairpin unfolding and the dynamics of a GNRA tetraloop. J Mol Biol (2002) 1.45
Antiarrhythmic effect mediated by κ-opioid receptor is associated with Cx43 stabilization. Crit Care Med (2010) 1.44
Simple few-state models reveal hidden complexity in protein folding. Proc Natl Acad Sci U S A (2012) 1.43
Color doppler hemodynamic study of the superficial temporal arteries in superficial temporal artery-middle cerebral artery (STA-MCA) bypass surgery for Moyamoya disease. World Neurosurg (2011) 1.43
Blood lymphocyte-to-monocyte ratio identifies high-risk patients in diffuse large B-cell lymphoma treated with R-CHOP. PLoS One (2012) 1.42
Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails. PLoS Comput Biol (2010) 1.42
Mechanistic and structural insight into the functional dichotomy between IL-2 and IL-15. Nat Immunol (2012) 1.41
Measurement of retinal function with flash-electroretinography in Chinese patients with hyperlipidemia. Graefes Arch Clin Exp Ophthalmol (2014) 1.41
Synthesis and characterization of ester-derivatized tetrathiatriarylmethyl radicals as intracellular oxygen probes. J Org Chem (2008) 1.40
Topology based data analysis identifies a subgroup of breast cancers with a unique mutational profile and excellent survival. Proc Natl Acad Sci U S A (2011) 1.40
Human telomeric DNA forms parallel-stranded intramolecular G-quadruplex in K+ solution under molecular crowding condition. J Am Chem Soc (2007) 1.40
Learning to detect a salient object. IEEE Trans Pattern Anal Mach Intell (2011) 1.39
Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy. Proc Natl Acad Sci U S A (2004) 1.39
Insights into nucleic acid conformational dynamics from massively parallel stochastic simulations. Biophys J (2003) 1.39
Thoroughly sampling sequence space: large-scale protein design of structural ensembles. Protein Sci (2002) 1.39
X-ray structure and mechanism of RNA polymerase II stalled at an antineoplastic monofunctional platinum-DNA adduct. Proc Natl Acad Sci U S A (2010) 1.39
Enhanced modeling via network theory: Adaptive sampling of Markov state models. J Chem Theory Comput (2010) 1.37
Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment. J Chem Phys (2008) 1.36
Single Image Haze Removal Using Dark Channel Prior. IEEE Trans Pattern Anal Mach Intell (2010) 1.36
A role for both conformational selection and induced fit in ligand binding by the LAO protein. PLoS Comput Biol (2011) 1.35
Taming the complexity of protein folding. Curr Opin Struct Biol (2011) 1.35
Does water play a structural role in the folding of small nucleic acids? Biophys J (2005) 1.34
Resveratrol inhibits invasion and metastasis of colorectal cancer cells via MALAT1 mediated Wnt/β-catenin signal pathway. PLoS One (2013) 1.34
Esterified trityl radicals as intracellular oxygen probes. Free Radic Biol Med (2008) 1.31
Systematic improvement of a classical molecular model of water. J Phys Chem B (2013) 1.31
Unusual compactness of a polyproline type II structure. Proc Natl Acad Sci U S A (2005) 1.30
Protein folding under confinement: a role for solvent. Proc Natl Acad Sci U S A (2007) 1.30
Improvements in Markov State Model Construction Reveal Many Non-Native Interactions in the Folding of NTL9. J Chem Theory Comput (2013) 1.30
Does native state topology determine the RNA folding mechanism? J Mol Biol (2004) 1.30
Nanotube confinement denatures protein helices. J Am Chem Soc (2006) 1.29