José A. Hernández Prada; Anderson J. Ferreira; Michael J. Katovich; Vinayak Shenoy; Yanfei Qi; Robson A.S. Santos; Ronald K. Castellano; Andrew J. Lampkins; Vladimir Gubala; David A. Ostrov; and Mohan K. Raizada, Structure-based identification of small-molecule angiotensin-converting enzyme 2 activators as… Read More

Beverly Brooks Hinojosa, Juan C. Nino, and Aravind Asthagiri, First-principles study of cubic Bi pyrochlores Physical Review B 77, 104123 , 2008-03-31 Abstract [-]: We examined a range of cubic Bi2B2O6O (B=Ti, Ru, Rh, Ir, Os, and Pt) pyrochlores with density functional theory (DFT)… Read More

Noorwez SM, Ostrov DA, McDowell JH, Krebs MP, Kaushal S, A High-Throughput Screening Method for Small-Molecule Pharmacologic Chaperones of Misfolded Rhodopsin Invest Ophthalmol Vis Sci. 2008 Jul;49(7):3224-30, 2008-03-31 Abstract [-]: PURPOSE. Many mutations in rhodopsin, including P23H, result in misfolding and mislocalization of… Read More

Mulligan CJ, Kitchen A, Miyamoto MM, Updated three-stage model for the peopling of the Americas PLoS ONE, 3(9):e3199., 2008-02-13 Abstract [-]: We evaluate the process by which the Americas were originally colonized and propose a three-stage model that integrates current genetic, archaeological, geological,… Read More

Hernandez Prada JA, Madden SL, Ostrov DA, Hernandez MA., Molecular modeling optimization of anticoagulant pyridine derivatives. J Mol Graph Model. 2008 Jun;26(8):1365-9, 2008-02-07 Abstract [-]: Intravascular clotting remains a major health problem in the United States, the most prominent being deep vein thrombosis,… Read More

Eric R. May, Dmitry I. Kopelevich, Atul Narang, Coarse-Grained Molecular Dynamics Simulations of Phase Transitions in Mixed Lipid Systems Containing LPA, DOPA, and DOPE Lipids Biophysical Journal 94(3) pp. 878 – 890, 2008-02-01 Abstract [-]: The mechanisms that mediate biomembrane shape transformations are… Read More

Gunjan Mohan and Dmitry I. Kopelevich, A multiscale model for kinetics of formation and disintegration of spherical micelles J. Chem. Phys. 128, 044905 , 2008-01-25 Abstract [-]: Dynamics of self-assembly and structural transitions in surfactant systems often involve a large span of length and… Read More

Kitchen D, Miyamoto MM, Mulligan CJ, A three-stage colonization model for the peopling of the Americas PLoS ONE, 2(9):e829., 2008-01-16 Abstract [-]: Background We evaluate the process by which the Americas were originally colonized and propose a three-stage model that integrates current genetic,… Read More

Levey, D. J. and Tewksbury, J. J. and Bolker, B. M., Modelling long-distance seed dispersal in heterogeneous landscapes Journal of Ecology, 2008-01-01

P. Shukla, T. Watanabe, J. C. Nino, J. S. Tulenko and S. R. Phillpot, Thermal Transport Properties of MgO and Nd2 Zr2 O7 Pyrochlore by Molecular Dynamics Simulation Journal of Nuclear Materials 380, 1-7, 2008-01-01