Published in Methods Mol Biol on January 01, 2012
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Large-scale comparison of protein essential dynamics from molecular dynamics simulations and coarse-grained normal mode analyses. Proteins (2010) 0.87
Global and local indices for characterizing biomolecular flexibility and rigidity. J Comput Chem (2012) 0.86
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Determinants of the unexpected stability of RNA fluorobenzene self pairs. Chembiochem (2008) 0.82
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Efficient and robust analysis of biomacromolecular flexibility using ensembles of network topologies based on fuzzy noncovalent constraints. Structure (2013) 0.80
Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit. Biol Chem (2013) 0.79
Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking. ChemMedChem (2009) 0.79
Quality matters: extension of clusters of residues with good hydrophobic contacts stabilize (hyper)thermophilic proteins. J Chem Inf Model (2014) 0.79
Predicting transmembrane helix pair configurations with knowledge-based distance-dependent pair potentials. Proteins (2008) 0.79
A membrane-proximal, C-terminal α-helix is required for plasma membrane localization and function of the G Protein-coupled receptor (GPCR) TGR5. J Biol Chem (2013) 0.79
Understanding the inhibitory effect of highly potent and selective archazolides binding to the vacuolar ATPase. J Chem Inf Model (2012) 0.78
Activation of integrins by urea in perfused rat liver. J Biol Chem (2010) 0.78
Docking into knowledge-based potential fields: a comparative evaluation of DrugScore. J Med Chem (2002) 0.77
Consensus adaptation of fields for molecular comparison (AFMoC) models incorporate ligand and receptor conformational variability into tailor-made scoring functions. J Chem Inf Model (2007) 0.77
Design, synthesis, and conformational analysis of trispyrimidonamides as α-helix mimetics. J Org Chem (2014) 0.76
Influence of the solvent representation on vibrational entropy calculations: generalized born versus distance-dependent dielectric model. J Comput Chem (2012) 0.76
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Tertiary interactions in the unbound guanine-sensing riboswitch focus functional conformational variability on the binding site. J Chem Inf Model (2017) 0.75
Alkoxyurea-based Histone Deacetylase Inhibitors Increase Cisplatin Potency in Chemoresistant Cancer Cell Lines. J Med Chem (2017) 0.75
Alignment-independent comparison of binding sites based on DrugScore potential fields encoded by 3D Zernike descriptors. J Chem Inf Model (2012) 0.75
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Improving binding mode predictions by docking into protein-specifically adapted potential fields. J Med Chem (2005) 0.75
Design, multicomponent synthesis and anticancer activity of a focused histone deacetylase (HDAC) inhibitor library with peptoid-based cap groups. J Med Chem (2017) 0.75