Published in Chem Biol Drug Des on June 20, 2011
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Modelling cardiac calcium sparks in a three-dimensional reconstruction of a calcium release unit. J Physiol (2012) 1.26
Multiple pathways guide oxygen diffusion into flavoenzyme active sites. Proc Natl Acad Sci U S A (2009) 1.25
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Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules. J Chem Theory Comput (2009) 1.23
Numerical analysis of Ca2+ signaling in rat ventricular myocytes with realistic transverse-axial tubular geometry and inhibited sarcoplasmic reticulum. PLoS Comput Biol (2010) 1.23
Fast peptidyl cis-trans isomerization within the flexible Gly-rich flaps of HIV-1 protease. J Am Chem Soc (2005) 1.23
Finite element simulations of acetylcholine diffusion in neuromuscular junctions. Biophys J (2003) 1.23
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Elucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulations. J Mol Biol (2009) 1.21
NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexes. J Chem Inf Model (2010) 1.21
Calculating pKa values in enzyme active sites. Protein Sci (2003) 1.21
Novel allosteric sites on Ras for lead generation. PLoS One (2011) 1.20
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A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology. PLoS Comput Biol (2010) 1.19
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Structural and dynamic properties of water around acetylcholinesterase. Protein Sci (2002) 1.15
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Unraveling the three-metal-ion catalytic mechanism of the DNA repair enzyme endonuclease IV. Proc Natl Acad Sci U S A (2007) 1.14
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