30.01.2013 Views

UNIVERSITY OF CALIFORNIA, SAN DIEGO

UNIVERSITY OF CALIFORNIA, SAN DIEGO

UNIVERSITY OF CALIFORNIA, SAN DIEGO

SHOW MORE
SHOW LESS

You also want an ePaper? Increase the reach of your titles

YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.

8 <strong>CALIFORNIA</strong>, <strong>SAN</strong> <strong>DIEGO</strong><br />

E: Stat., Nonlinear, Soft Matter Phys, 75, 061116/1-061116/8<br />

(2007).<br />

Katja Lindenberg, J. M. Sancho, A. M. Lacasta and I. M.<br />

Sokolov, Dispersionless Transport in a Washboard Potential,<br />

Phys. Rev. Lett, 98, 020602/1-020602/4 (2007).<br />

Alexandre Rosas, Aldo H. Romero, Vitali F. Nesterenko<br />

and Katja Lindenberg, Observation of Two-Wave Structure<br />

in Strongly Nonlinear Dissipative Granular Chains, Phys.<br />

Rev. Lett, 98, 164301/1-164301/4 (2007).<br />

Massimiliano Esposito and Katja Lindenberg, Continuous<br />

time random walk for open systems: fluctuation theorems<br />

and counting statistics, arXiv.org, e-Print Arch., Condens.<br />

Matter, 1-13 (2008).<br />

Alexandre Rosas, Aldo H. Romero, Vitali F. Nesterenko<br />

and Katja Lindenberg, Short pulse dynamics in strongly nonlinear<br />

dissipative granular chains, arXiv.org, e-Print Arch.,<br />

Condens. Matter, 1-16 (2008).<br />

I. M. Sokolov, S. B. Yuste, J. J. Ruiz-Lorenzo and Katja<br />

Lindenberg, Mean field model of coagulation and annihilation<br />

reactions of a subdiffusive species, arXiv.org, e-Print<br />

Arch., Condens. Matter, 1-9 (2008).<br />

Ramon Reigada, Javier Buceta, Jordi Gomez, Francesc Sagues<br />

and Katja Lindenberg, Phase separation in three-component<br />

lipid membranes: From Monte Carlo simulations to<br />

Ginzburg-Landau equations, J. Chem. Phys, 128, 025102/1-<br />

025102/10 (2008).<br />

M. Khoury, A. M. Lacasta, J. M. Sancho, A. H. Romero<br />

and Katja Lindenberg, Charged particle transport in antidot<br />

lattices in the presence of magnetic and electric fields: Langevin<br />

approach, Phys. Rev. B, 78, 155433/1-155433/9<br />

(2008).<br />

S. B. Yuste, G. Oshanin, Katja Lindenberg, O. Benichou<br />

and J. Klafter, Survival probability of a particle in a sea of<br />

mobile traps: A tale of tails, Phys. Rev. E, 78, 021105/1-<br />

021105/7 (2008).<br />

S. B. Yuste, J. Klafter and Katja Lindenberg, Number of<br />

distinct sites visited by a subdiffusive random walker, Phys.<br />

Rev. E, 77, 032101/1-032101/3 (2008).<br />

A. Rosas, A. H. Romero, V. F. Nesterenko and Katja Lindenberg,<br />

Short-pulse dynamics in strongly nonlinear dissipative<br />

granular chains, Phys. Rev. E, 78, 051303/1-051303/10<br />

(2008).<br />

Massimiliano Esposito and Katja Lindenberg, Continuoustime<br />

random walk for open systems: Fluctuation theorems<br />

and counting statistics, Phys. Rev. E: Stat., Nonlinear, Soft<br />

Matter Phys, 77, 051119/1-051119/12 (2008).<br />

Kevin Wood, Nonequilibrium phase transitions in stochastic<br />

spatially extended systems. (D)<br />

MAGDE, DOUGLAS (b.1942) Professor. B.S, 1963,<br />

Boston College; M.S, 1968, Cornell University; Ph.D,<br />

1970, Cornell University. Postdoctoral Resident Associate,<br />

1970-1972, Cornell University; Postdoctoral Resident<br />

Associate, 1972-1974, Washington State University.<br />

Biophysics/Biophysical Chemistry; Physical Chemistry.<br />

work. The studies show, for example, how a substrate<br />

may be attracted to the active site of an enzyme by electrostatic<br />

interactions. We also use these methods for<br />

computer-aided drug discovery. TEL: (858) 534-2905<br />

FAX: (858) 534-4974<br />

Web: mccammon.ucsd.edu/<br />

Email: jmccammon@ucsd.edu<br />

Alemayehu A. Gorfe, Arneh Babakhani and J. Andrew<br />

McCammon, Free energy profile of H-ras membrane anchor<br />

upon membrane insertion, Angew. Chem., Int. Ed, 46, 8234-<br />

8237 (2007).<br />

Riccardo Baron and J. Andrew McCammon, Dynamics,<br />

Hydration, and Motional Averaging of a Loop-Gated Artificial<br />

Protein Cavity: The W191G Mutant of Cytochrome c<br />

Peroxidase in Water as Revealed by Molecular Dynamics<br />

Simulations, Biochemistry, 46, 10629-10642 (2007).<br />

Yuhui Cheng, Jason K. Suen, Zoran Radic, Stephen D.<br />

Bond, Michael J. Holst and J. Andrew McCammon, Continuum<br />

simulations of acetylcholine diffusion with reaction-determined<br />

boundaries in neuromuscular junction models, Biophys.<br />

Chem, 127, 129-139 (2007).<br />

Xiaolin Cheng, Ivaylo Ivanov, Hailong Wang, Steven M.<br />

Sine and J. Andrew McCammon, Nanosecond-timescale conformational<br />

dynamics of the human �7 nicotinic acetylcholine<br />

receptor, Biophys. J, 93, 2622-2634 (2007).<br />

Yuhui Cheng, Jason K. Suen, Deqiang Zhang, Stephen D.<br />

Bond, Yongjie Zhang, Yuhua Song, Nathan A. Baker, Chandrajit<br />

L. Bajaj, Michael J. Holst and J. Andrew McCammon,<br />

Finite element analysis of the time-dependent Smoluchowski<br />

equation for acetylcholinesterase reaction rate calculations,<br />

Biophys. J, 92, 3397-3406 (2007).<br />

Joanna Trylska, Valentina Tozzini, Chia-en A. Chang and<br />

J. Andrew McCammon, HIV-1 protease substrate binding<br />

and product release pathways explored with coarse-grained<br />

molecular dynamics, Biophys. J, 92, 4179-4187 (2007).<br />

Arneh Babakhani, Alemayehu A. Gorfe, Justin Gullingsrud,<br />

Judy E. Kim and J. Andrew McCammon, Peptide insertion,<br />

positioning, and stabilization in a membrane: insight<br />

from an all-atom molecular dynamics simulation, Biopolymers,<br />

85, 490-497 (2007).<br />

Jesper Soerensen, Donald Hamelberg, Birgit Schioett and<br />

J. Andrew McCammon, Comparative MD analysis of the stability<br />

of transthyretin providing insight into the fibrillation<br />

mechanism, Biopolymers, 86, 73-82 (2007).<br />

Chia-En A. Chang, Joanna Trylska, Valentina Tozzini and<br />

J. Andrew McCammon, Binding pathways of ligands to<br />

HIV-1 protease: coarse-grained and atomistic simulations,<br />

Chem. Biol. Drug Des, 69, 5-13 (2007).<br />

Cesar Augusto F. de Oliveira, Maurice Zissen, John Mongon<br />

and J. Andrew Mccammon, Molecular dynamics simulations<br />

of metalloproteinases types 2 and 3 reveal differences<br />

in the dynamic behavior of the S1’ binding pocket, Curr.<br />

Pharm. Des, 13, 3471-3475 (2007).<br />

Richard H. Henchman and J. Andrew McCammon, Protein<br />

structural flexibility: molecular motions, Handb. Proteins, 1,<br />

Cesar Augusto F. de Oliveira, Donald Hamelberg and J.<br />

Andrew McCammon, Estimating kinetic rates from acceler-<br />

ated molecular dynamics simulations: Alanine dipeptide in<br />

explicit solvent as a case study, J. Chem. Phys, 127, 175105/<br />

1-175105/8 (2007).<br />

Benzhuo Lu and J. Andrew McCammon, Improved<br />

Boundary Element Methods for Poisson-Boltzmann Electrostatic<br />

Potential and Force Calculations, J. Chem. Theory<br />

Comput, 3, 1134-1142 (2007).<br />

John Mongan, Carlos Simmerling, J. Andrew McCammon,<br />

David A. Case and Alexey Onufriev, Generalized Born Model<br />

with a Simple, Robust Molecular Volume Correction, J.<br />

Chem. Theory Comput, 3, 156-169 (2007).<br />

J. Swanson, J. Wagoner, N. Baker and J. A. McCammon,<br />

Optimizing the poisson dielectric boundary with explicit solvent<br />

simulations: lessons learned with atom-centered dielectric<br />

functions, J. Chem. Theory Comput, 3, 170-183 (2007).<br />

Benzhuo Lu, Xiaolin Cheng and J. Andrew McCammon,<br />

New-version-fast-multipole-method” accelerated electrostat-<br />

ic calculations in biomolecular systems, J. Comput. Phys,<br />

226, 1348-1366 (2007).<br />

Alemayehu A. Gorfe, Michael Hanzal-Bayer, Daniel<br />

Abankwa, John F. Hancock and J. Andrew McCammon,<br />

Structure and Dynamics of the Full-Length Lipid-Modified<br />

H-Ras Protein in a 1,2-Dimyristoylglycero-3-phosphocholine<br />

Bilayer, J. Med. Chem, 50, 674-684 (2007).<br />

Barry J. Grant, J. Andrew McCammon, Leo S. D. Caves<br />

and Robert A. Cross, Multivariate Analysis of Conserved Se-<br />

quence-Structure Relationships in Kinesins: Coupling of the<br />

Active Site and a Tubulin-binding Sub-domain, J. Mol. Biol,<br />

368, 1231-1248 (2007).<br />

Valentina Tozzini, Joanna Trylska, Chia-en Chang and J.<br />

Andrew McCammon, Flap opening dynamics in HIV-1 pro-<br />

tease explored with a coarse-grained model, J. Struct. Biol,<br />

157, 606-615 (2007).<br />

Philip R. Leduc, Michael S. Wong, Placid M. Ferreira,<br />

Richard E. Groff, Kiryn Haslinger, Michael P. Koonce, Woo<br />

Y. Lee, J. Christopher Love, J. Andrew McCammon, Nancy<br />

A. Monteiro-Riviere, Vincent M. Rotello, Gary W. Rubloff,<br />

Robert Westervelt and Minami Yoda, Towards an in vivo bi-<br />

ologically inspired nanofactory, Nat. Nanotechnol, 2, 3-7<br />

(2007).<br />

Rommie E. Amaro, Robert V. Swift and J. Andrew<br />

McCammon, Functional and structural insights revealed by<br />

molecular dynamics simulations of an essential RNA editing<br />

ligase in Trypanosoma brucei, PLoS Neglected Trop. Dis, 1,<br />

No pp. given (2007).<br />

Ivaylo Ivanov, John A. Tainer and J. Andrew McCammon,<br />

Unraveling the three-metal-ion catalytic mechanism of the<br />

DNA repair enzyme endonuclease IV, Proc. Natl. Acad. Sci.<br />

U. S. A, 104, 1465-1470 (2007).<br />

Donald Hamelberg, Tongye Shen and J. Andrew McCammon,<br />

A proposed signaling motif for nuclear import in<br />

mRNA processing via the formation of arginine claw, Proc.<br />

Natl. Acad. Sci. U. S. A, 104, 14947-14951 (2007).<br />

Jacky Chi Ki Ngo, Justin Gullingsrud, Kayla Giang, Me-<br />

Femtosecond lasers; hemoglobin, guanylatecyclase and 166-171 (2007). linda Jean Yeh, Xiang-Dong Fu, Joseph A. Adams, J. Another<br />

heme enzymes; inorganic photochemistry, chemi- Alemayehu A. Gorfe, Arneh Babakhani and J. Andrew drew McCammon and Gourisankar Ghosh, SR Protein Ki-<br />

cal sensors, and general photophysical chemistry. TEL:<br />

(858) 534-3199 FAX: (858) 822-2563<br />

Email: dmagde@ucsd.edu<br />

Edith C. Glazer, Douglas Magde and Yitzhak Tor, Ruthenium<br />

Complexes That Break the Rules: Structural Features<br />

Controlling Dual Emission, J. Am. Chem. Soc, 129, 8544-<br />

8551 (2007).<br />

McCammon, H-ras Protein in a Bilayer: Interaction and<br />

Structure Perturbation, J. Am. Chem. Soc, 129, 12280-12286<br />

(2007).<br />

Yuhui Cheng, Xiaolin Cheng, Zoran Radic and J. Andrew<br />

McCammon, Acetylcholinesterase: Mechanisms of Covalent<br />

Inhibition of Wild-Type and H447I Mutant Determined by<br />

Computational Analyses, J. Am. Chem. Soc, 129, 6562-6570<br />

(2007).<br />

nase 1 Is Resilient to Inactivation, Structure (Cambridge,<br />

MA, U. S.), 15, 123-133 (2007).<br />

Robert V. Swift and J. Andrew McCammon, Catalytically<br />

Requisite Conformational Dynamics in the mRNA-Capping<br />

Enzyme Probed by Targeted Molecular Dynamics, Biochem-<br />

istry, 47, 4102-4111 (2008).<br />

Alemayehu A. Gorfe, Chia-en A. Chang, Ivaylo Ivanov<br />

and J. Andrew McCammon, Dynamics of the acetylcholin-<br />

MARTI, K. (b.1936) Professor Emeritus. M.S, 1963,<br />

University of Berne; Ph.D, 1965, University of Berne.<br />

Postgraduate Resident Chemist, 1965-1968, University<br />

of California, San Diego; Guggenheim Fellowship, 1976.<br />

Variations in isotopic compositions and origin of the<br />

Rommie E. Amaro, David D. L. Minh, Lily S. Cheng, William<br />

M. Lindstrom, Jr., Arthur J. Olson, Jung-Hsin Lin,<br />

Wilfred W. Li and J. Andrew McCammon, Remarkable Loop<br />

Flexibility in Avian Influenza N1 and Its Implications for<br />

Antiviral Drug Design, J. Am. Chem. Soc, 129, 7764-7765<br />

(2007).<br />

esterase tetramer, Biophys. J, 94, 1144-1154 (2008).<br />

Alemayehu A. Gorfe, Riccardo Baron and J. Andrew<br />

McCammon, Water-membrane partition thermodynamics of<br />

an amphiphilic lipopeptide: an enthalpy-driven hydrophobic<br />

effect, Biophys. J, 95, 3269-3277 (2008).<br />

Yuhui Cheng, Chia-en A. Chang, Zeyun Yu, Yongjie<br />

chemical elements; extinct elements; nuclear reactions Ivaylo Ivanov, Xiaolin Cheng, Steven M. Sine and J. An- Zhang, Meihao Sun, Thomas S. Leyh, Michael J. Holst and J.<br />

induced by cosmic rays; history of the moon, history of drew McCammon, Barriers to Ion Translocation in Cationic Andrew McCammon, Diffusional channeling in the sulfate-<br />

Mars, the meteorites and the solar system. TEL: (858)<br />

534-2939 FAX: (858) 534-7441<br />

Email: kmarti@ucsd.edu<br />

Publication list has not been verified by the department.<br />

and Anionic Receptors from the Cys-Loop Family, J. Am.<br />

Chem. Soc, 129, 8217-8224 (2007).<br />

Li-Tien Cheng, Joachim Dzubiella, J. Andrew McCammon<br />

and Bo Li, Application of the level-set method to the implicit<br />

solvation of nonpolar molecules, J. Chem. Phys, 127,<br />

activating complex: combined continuum modeling and<br />

coarse-grained Brownian dynamics studies, Biophys. J, 95,<br />

4659-4667 (2008).<br />

Sergio E. Wong, Riccardo Baron and J. Andrew McCammon,<br />

Hot-spot residues at the E9/Im9 interface help binding<br />

A. J. T. Jull, D. Lal, S. Taylor, R. Wieler, A. Grimberg, L. 084503/1-084503/10 (2007). via different mechanisms, Biopolymers, 89, 916-920 (2008).<br />

Vacher, L. R. McHargue, S. P. H. T. Freeman, C. Maden, C. Ilja V. Khavrutskii and J. Andrew McCammon, General- Melissa R. Landon, Rommie E. Amaro, Riccardo Baron,<br />

Schnabel, S. Xu, R. C. Finkel, K. J. Kim and K. Marti, ized gradient-augmented harmonic Fourier beads method Chi Ho Ngan, David Ozonoff, J. Andrew McCammon and<br />

3He, 20,21,22Ne, 14C, 10Be, 26Al, and 36Cl in magnetic fractions of with multiple atomic and/or center-of-mass positional re- Sandor Vajda, Novel druggable hot spots in avian influenza<br />

cosmic dust from Greenland and Antarctica, Meteorit. Plan- straints, J. Chem. Phys, 127, 124901/1-124901/12 (2007). neuraminidase H5N1 revealed by computational solvent<br />

et. Sci, 42, 1831-1840 (2007).<br />

Benzhuo Lu, Y. C. Zhou, Gary A. Huber, Stephen D. mapping of a reduced and representative receptor ensemble,<br />

K. V. Ponganis and K. Marti, Nitrogen components in Bond, Michael J. Holst and J. Andrew McCammon, Electro- Chem. Biol. Drug Des, 71, 106-116 (2008).<br />

IAB/IIICD iron meteorites, Meteorit. Planet. Sci, 42, 331- diffusion: A continuum modeling framework for biomolecu- Benzhuo Lu and J. Andrew McCammon, Molecular sur-<br />

346 (2007).<br />

lar systems with realistic spatiotemporal resolution, J. Chem. face-free continuum model for electrodiffusion processes,<br />

Phys, 127, 135102/1-135102/17 (2007). Chem. Phys. Lett, 451, 282-286 (2008).<br />

MCCAMMON, J. ANDREW (b.1947) Joseph E.<br />

Mayer Professor of Theoretical Chemistry. A.B, 1969,<br />

Pomona College; A.M, 1970, Harvard University; Ph.D,<br />

1976, Harvard University. NSF Postdoctoral Fellowship,<br />

1976-1977, Harvard University; NIH Postdoctoral Fel-<br />

lowship, 1977-1978, Harvard University. Biophysics/<br />

Biophysical Chemistry; Chemical Physics. We use theoretical<br />

and computational methods to study biological<br />

molecules. Most of our work uses methods from statistical<br />

mechanics. These methods range from computer simulations<br />

of molecular behavior to purely theoretical<br />

David D. L. Minh, Donald Hamelberg and J. Andrew<br />

McCammon, Accelerated entropy estimates with accelerated<br />

dynamics, J. Chem. Phys, 127, 154105/1-154105/5 (2007).<br />

David S. Cerutti, Nathan A. Baker and J. Andrew McCammon,<br />

Solvent reaction field potential inside an uncharged<br />

globular protein: A bridge between implicit and explicit solvent<br />

models?, J. Chem. Phys, 127, 155101/1-155101/12<br />

(2007).<br />

Donald Hamelberg, Cesar Augusto F. de Oliveira and J.<br />

Andrew McCammon, Sampling of slow diffusive conformational<br />

transitions with accelerated molecular dynamics, J.<br />

Chem. Phys, 127, 155102/1-155102/9 (2007).<br />

Jennifer M. Bui and J. Andrew McCammon, Intrinsic conformational<br />

flexibility of acetylcholinesterase, Chem.-Biol.<br />

Interact, 175, 303-304 (2008).<br />

Riccardo Baron and J. Andrew McCammon, (Thermo)dynamic<br />

role of receptor flexibility, entropy, and motional<br />

correlation in protein-ligand binding, ChemPhysChem, 9,<br />

983-988 (2008).<br />

B. Z. Lu, Y. C. Zhou, M. J. Holst and J. A. McCammon,<br />

Recent progress in numerical methods for the Poisson-Boltz-<br />

mann equation in biophysical applications, Commun. Comp.<br />

Physics, 3, 973-1009 (2008).<br />

Donald Hamelberg and J. Andrew McCammon, Dealing

Hooray! Your file is uploaded and ready to be published.

Saved successfully!

Ooh no, something went wrong!