Klauda, Jeffery - University of Maryland - Chemical and Biomolecular Engineering

个人简介

Ph.D., University of Delaware, 2003 Before joining the Department in Fall 2007, Dr. Klauda was an Intramural Research Training Award (IRTA) Postdoctoral Fellow in the Laboratory of Computational Biology at the National Heart, Lung and Blood Institute, National Institutes of Health (NIH). There, he studied lipid forcefield improvements and dynamical behavior of membranes, and transport of sugars through the cell membrane via proteins. His Ph.D. work mainly involved predicting the thermodynamic stability of gas hydrates and global amount of this alternate source of natural gas. The separation of molecular nitrogen and oxygen via nanoporous carbons was also a part of his doctoral work.

研究领域

Nanomaterials for energy and the environment, reaction engineering of ultrafast processes, materials under extreme conditions, transport properties of small particles.

近期论文

查看导师最新文章（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）

Rogaski, B & J.B. Klauda. Membrane-binding Mechanism of a Peripheral Membrane Protein through Microsecond Molecular Dynamics Simulations. J. Mol. Bio. 423, 847-861 (2012). Klauda, J.B., V. Monje, T. Kim, and W. Im. Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains. J. Phys. Chem. B. 116, 9424-9431 (2012). Cover Article Ezzeldin, H.M., J.B. Klauda, & S.D. Solares. Modeling of the Major Gas Vesicle Protein, GvpA: from Protein Sequence to Vesicle Wall Structure. J. Struct. Biol. 179, 18-28 (2012). Kwon, T.K., B. Roux, SW Jo, J.B. Klauda, A.L. Harris, & T.A. Bargiello. Molecular Dynamics Simulations of the Cx26 Hemichannel: Insights into voltage-dependent loop-gating. Biophys. J. 102, 1341-1351 (2012). Pandit, K.R. & J.B. Klauda. Membrane models of E. coli containing cyclic moieties in the aliphatic lipid chain. BBA-Membranes. 1818, 1205-1210 (2012). Lim, J.B., B. Rogaski & J.B. Klauda. Update of the Cholesterol Force Field Parameters in CHARMM. J. Phys. Chem. B. 116, 203-210 (2012). O’Connor, J.W & J.B. Klauda. Lipid Membranes with a Majority of Cholesterol: Applications to the Ocular Lens and Aquaporin 0. J. Phys. Chem. B. 115, 6455-5464 (2011). Bandyopadhyay, A.A. & J.B. Klauda. Gas Hydrate Structure and Pressure Predictions based on an Updated Fugacity-based Model with the PSRK Equation of State. I&EC Research. 50, 148-157 (2011). Lim, J.B. & J.B. Klauda. Branching at the Iso- and Anteiso- Positions in Complex Chlamydia Membranes: A Molecular Dynamics Study. BBA-Membranes. 1808, 323-331 (2011). Song, K.C., P.W. Livanec, J.B. Klauda, K. Kuczera, R.C. Dunn, & W. Im. Orientation of Fluorescent Lipid Analog BODIPY-PC to Probe Lipid Membrane Properties: Insights from Molecular Dynamics Simulations. J. Phys. Chem. B. 115, 6157-5165 (2011). Klauda, J. B., R. M. Venable, J. A. Freites, J. W. O'Connor, C. Mondragon-Ramirez, I. Vorobyov, D. J. Tobias, A. D. MacKerell, & R. W. Pastor. Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types. J. Phys. Chem. B. 114, 7830-7843 (2010). Jo, S.H., H. Rui, J.B. Lim, J.B. Klauda, & W. Im. Cholesterol Flip-Flop: Insights from Free Energy Simulation Studies. J. Phys. Chem. B. 114, 13342-13348 (2010). Rogaski, B., J.B. Lim, & J.B. Klauda. Sterol binding and membrane lipid attachment to the Osh4 protein of yeast. J. Phys. Chem. B. 114, 13562-13573 (2010). Pendse, P.Y., B.R. Brooks & J.B. Klauda. Probing the Periplasmic-open State of Lactose Permease in Response to Sugar Binding and Proton Translocation. JMB. 404, 506-521 (2010). Cover Article Jo, S.H., J.B. Lim, J.B. Klauda, & W. Im. CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes. Biophys. J. 97, 50-58 (2009). Singh, R.P., B.R. Brooks, & J.B. Klauda. Binding and Release of Cholesterol in the Osh4 Protein of Yeast. Proteins: Structure, Function, and Bioinformatics. 75, 468-477 (2009). Klauda, J.B., M.F. Roberts, and A.G. Redfield, B.R. Brooks, & R.W. Pastor. Rotation of Lipids in Membranes: MD Simulation, 31P Spin-Lattice Relaxation, and Rigid-Body Dynamics. Biophys. J. 94 , 3074-3083 (2008). Klauda, J.B. & B.R. Brooks. CHARMM Force Field Parameters for Nitroalkanes and Nitroarenes. J. Chem. Theory Comp. 4, 107-115 (2008). Klauda, J.B., N.V. Eldho, K. Gawrisch, B.R. Brooks, & R.W. Pastor. Collective and Noncollective Models of NMR Relaxation in Lipid Vesicles and Multilayers. J. Phys. Chem. B. 112, 5924 (2008). Miller, T., R.P. Singh, J.B. Klauda, M. Hodošček, B.R. Brooks, & H.L. Woodcock III. CHARMMing: A New, Flexible, Web-based front-end to CHARMM. J. Chem. Info. Mod. 48, 1920-1929 (2008). Klauda, J.B. & B.R. Brooks. Sugar Binding in Lactose Permease: Anomeric State of a Disaccharide Influences Binding Structure. J Mol. Biol. 367, 1523-1534 (2007). Klauda, J.B., X. Wu, R.W. Pastor, & B.R. Brooks. Long-range Lennard-Jones and Electrostatic Interactions in Interfaces: Application of the Isotropic Periodic Sum Method. J. Phys. Chem. B. 111, 4393-43400 (2007). Klauda, J.B., B.R. Brooks, & R.W. Pastor. Dynamical Motions of Lipids and a Finite Size Effect in Simulations of Bilayers. J. Chem. Phys. 125, 144710 (2006). Klauda, J.B., N. Kučerka, B.R. Brooks, R.W. Pastor, & J.F. Nagle. Simulation-based Methods for Interpreting X-ray Data from Lipid Bilayers. Biophys. J. 90, 2796-2807 (2006). Klauda, J.B., B.R. Brooks, A.D. MacKerell, R.M. Venable, & R.W. Pastor. An Ab Initio Study on the Torsional Surface of Alkanes and its Effect on Molecular Simulations of Alkanes and DPPC Bilayers. J. Phys. Chem. B. 109, 5300-5311 (2005).