JohnWBradyMD

PubMed

• Interresidual hydrogen bonding in carbohydrates unraveled by NMR spectroscopy and molecular dynamics simulations.
  Rönnols, J.,Engström, O.,Schnupf, U.,Säwén, E.,Brady, J. W.,Widmalm, G.> ;Chembiochem. 2019 May 09
• Crowding and conformation interplay on human DNA G-quadruplex by ultraviolet resonant Raman scattering.
  Di Fonzo, S.,Bottari, C.,Brady, J. W.,Tavagnacco, L.,Caterino, M.,Petraccone, L.,Amato, J.,Giancola, C.,Cesàro, A.> ;Phys Chem Chem Phys. 2019 Jan 15
• Physico-chemical properties of aqueous drug solutions: from the basic thermodynamics to the advanced experimental and simulation results.
  Bellich, B.,Gamini, A.,Brady, J. W.,Cesàro, A.> ;Int J Pharm. 2018 Feb 08
• Natural diversity of glycoside hydrolase family 48 exoglucanases: insights from structure.
  Brunecky, R.,Alahuhta, M.,Sammond, D. W.,Xu, Q.,Chen, M.,Wilson, D. B.,Brady, J. W.,Himmel, M. E.,Bomble, Y. J.,Lunin, V. V.> ;Biotechnol Biofuels. 2017 Dec 08
• Stacking and Branching in Self-Aggregation of Caffeine in Aqueous Solution: From the Supramolecular to Atomic Scale Clustering.
  Tavagnacco L, Gerelli Y, Cesàro A, Brady JW> ;J Phys Chem B. 2016-09-22
• Simulation studies of substrate recognition by the exocellulase CelF from Clostridium cellulolyticum.
  Chen M, Himmel ME, Wilson DB, Brady JW> ;Biotechnol. Bioeng.. 2016-07-01
• Comparison of the simulations of cellulosic crystals with three carbohydrate force fields.
  Miyamoto, H.,Schnupf, U.,Crowley, M. F.,Brady, J. W.> ;Carbohydr. Res.. 2016 Feb 05
• Strategies to reduce end-product inhibition in family 48 glycoside hydrolases.
  Chen, M.,Bu, L.,Alahuhta, M.,Brunecky, R.,Xu, Q.,Lunin, V. V.,Brady, J. W.,Crowley, M. F.,Himmel, M. E.,Bomble, Y. J.> ;Proteins. 2015 Nov 18
• Hydration of Caffeine at High Temperature by Neutron Scattering and Simulation Studies.
  Tavagnacco, L.,Brady, J. W.,Bruni, F.,Callear, S.,Ricci, M. A.,Saboungi, M. L.,Cesàro, A.> ;J Phys Chem B. 2015 Oct 01
• Water Structuring over the Hydrophobic Surface of Cellulose.
  Miyamoto, H.,Schnupf, U.,Brady, J. W.> ;J. Agric. Food Chem.. 2014 Nov 05
• Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol.
  Chen, M.,Pendrill, R.,Widmalm, G.,Brady, J. W.,Wohlert, J.> ;J Chem Theory Comput. 2015 Nov 21
• Experimental and Modeling Studies of an Unusual Water-Filled Pore Structure with Possible Mechanistic Implications in Family 48 Cellulases.
  Chen, M.,Kostylev, M.,Bomble, Y. J.,Crowley, M. F.,Himmel, M. E.,Wilson, D. B.,Brady, J. W.> ;J Phys Chem B. 2014 Jan 30
• Cel48A from Thermobifida fusca: Structure and site directed mutagenesis of key residues.
  Kostylev, M.,Alahuhta, M.,Chen, M.,Brunecky, R.,Himmel, M. E.,Lunin, V. V.,Brady, J.,Wilson, D. B.> ;Biotechnol. Bioeng.. 2013 Nov 23
• The conformation of a ribose derivative in aqueous solution: a neutron-scattering and molecular dynamics study.
  Mason, P. E.,Neilson, G. W.,Saboungi, M. L.,Brady, J. W.,Bush, C. A.> ;Biopolymers. 2013 Oct
• Caffeine and sugars interact in aqueous solutions: a simulation and NMR study.
  Tavagnacco L, Engström O, Schnupf U, Saboungi M, Himmel M, Widmalm G, Cesàro A, Brady JW> ;J Phys Chem B. 2012-09-27
• Weakly hydrated surfaces and the binding interactions of small biological solutes.
  Brady, J. W.,Tavagnacco, L.,Ehrlich, L.,Chen, M.,Schnupf, U.,Himmel, M. E.,Saboungi, M. L.,Cesàro, A.> ;Eur. Biophys. J.. 2011 Nov 30
• Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.
  Matthews JF, Beckham GT, Bergenstråhle-Wohlert M, Brady JW, Himmel ME, Crowley MF> ;J Chem Theory Comput. 2012-02-14
• Molecular dynamics studies of the conformation of sorbitol.
  Lerbret A, Mason PE, Venable RM, Cesàro A, Saboungi M, Pastor RW, Brady JW> ;Carbohydr. Res.. 2009-11-02
• "Tetrahedrality" and the relationship between collective structure and radial distribution functions in liquid water.
  Mason PE, Brady JW> ;J Phys Chem B. 2007-05-24
• Nanometer-scale ion aggregates in aqueous electrolyte solutions: guanidinium carbonate.
  Mason PE, Neilson GW, Kline SR, Dempsey CE, Brady JW> ;J Phys Chem B. 2006-07-13
• Nanometer-scale ion aggregates in aqueous electrolyte solutions: guanidinium sulfate and guanidinium thiocyanate.
  Mason PE, Dempsey CE, Neilson GW, Brady JW> ;J Phys Chem B. 2005-12-22
• Structure of aqueous glucose solutions as determined by neutron diffraction with isotopic substitution experiments and molecular dynamics calculations.
  Mason PE, Neilson GW, Enderby JE, Saboungi M, Brady JW> ;J Phys Chem B. 2005-07-14
• Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populations.
  Kuttel M, Brady JW, Naidoo KJ> ;J Comput Chem. 2002-10-01
• Solvent effects on the molecular properties of pectins.
  Fishman ML, Chau HK, Kolpak F, Brady J> ;J. Agric. Food Chem.. 2001-09-01
• Reversible dehydration of trehalose and anhydrobiosis: from solution state to an exotic crystal?
  Sussich F, Skopec C, Brady J, Cesàro A> ;Carbohydr. Res.. 2001-08-30
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