IBBR Publications
Found 43 results
Filters: Keyword is Static Electricity [Clear All Filters]
Cryo-EM Structures of Eastern Equine Encephalitis Virus Reveal Mechanisms of Virus Disassembly and Antibody Neutralization. Cell Rep. 2018 ;25(11):3136-3147.e5.
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates. J Comput Aided Mol Des. 2017 ;31(4):349-363.
. Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions. Bioorg Med Chem. 2016 ;24(20):4812-4825.
. CHARMM additive and polarizable force fields for biophysics and computer-aided drug design. Biochim Biophys Acta. 2015 ;1850(5):861-71.
. CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides. J Phys Chem B. 2015 ;119(25):7846-59.
. A map of dielectric heterogeneity in a membrane protein: the hetero-oligomeric cytochrome b6f complex. J Phys Chem B. 2014 ;118(24):6614-25.
. Enhancing biocompatibility of D-oligopeptide hydrogels by negative charges. Biomacromolecules. 2013 ;14(2):406-12.
. Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach. J Chem Inf Model. 2013 ;53(12):3384-98.
. An interplay between electrostatic and polar interactions in peptide hydrogels. Biopolymers. 2013 ;100(2):174-83.
. Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator. Biopolymers. 2013 ;99(10):724-38.
. A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids. J Phys Chem B. 2013 ;117(31):9142-60.
. Structural insights into the common γ-chain family of cytokines and receptors from the interleukin-7 pathway. Immunol Rev. 2012 ;250(1):303-16.
. Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins. J Comput Chem. 2011 ;32(14):3135-41.
. . .
Analysis of the structure and function of YfcG from Escherichia coli reveals an efficient and unique disulfide bond reductase. Biochemistry. 2009 ;48(28):6559-61.
. Many-body polarization effects and the membrane dipole potential. J Am Chem Soc. 2009 ;131(8):2760-1.
. Polarizable empirical force field for nitrogen-containing heteroaromatic compounds based on the classical Drude oscillator. J Comput Chem. 2009 ;30(12):1821-38.
. Structure of the F-spondin domain of mindin, an integrin ligand and pattern recognition molecule. EMBO J. 2009 ;28(3):286-97.
Coagulation of tobacco mosaic virus in alcohol-water-LiCl solutions. J Colloid Interface Sci. 2008 ;324(1-2):92-8.
. S100A1 and calmodulin compete for the same binding site on ryanodine receptor. J Biol Chem. 2008 ;283(39):26676-83.
. Polarizable empirical force field for aromatic compounds based on the classical drude oscillator. J Phys Chem B. 2007 ;111(11):2873-85.
. ZRANK: reranking protein docking predictions with an optimized energy function. Proteins. 2007 ;67(4):1078-86.
. Polarizable empirical force field for alkanes based on the classical Drude oscillator model. J Phys Chem B. 2005 ;109(40):18988-99.
. .