Robert E. Duke
Affiliations: | Chemistry | University of North Carolina, Chapel Hill, Chapel Hill, NC |
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| Elking DM, Perera L, Duke R, et al. (2011) A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. Journal of Computational Chemistry. 32: 3283-95 |
| Cerutti DS, Freddolino PL, Duke RE, et al. (2010) Simulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models. The Journal of Physical Chemistry. B. 114: 12811-24 |
| Elking DM, Perera L, Duke R, et al. (2010) Atomic forces for geometry-dependent point multipole and gaussian multipole models. Journal of Computational Chemistry. 31: 2702-13 |
| Lee CJ, Chandrasekaran V, Wu S, et al. (2010) Recent estimates of the structure of the factor VIIa (FVIIa)/tissue factor (TF) and factor Xa (FXa) ternary complex. Thrombosis Research. 125: S7-S10 |
| Jiao D, Zhang J, Duke RE, et al. (2009) Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential. Journal of Computational Chemistry. 30: 1701-11 |
| Chandrasekaran V, Lee CJ, Lin P, et al. (2009) A computational modeling and molecular dynamics study of the Michaelis complex of human protein Z-dependent protease inhibitor (ZPI) and factor Xa (FXa). Journal of Molecular Modeling. 15: 897-911 |
| Chandrasekaran V, Lee CJ, Duke RE, et al. (2008) Computational study of the putative active form of protein Z (PZa): sequence design and structural modeling. Protein Science : a Publication of the Protein Society. 17: 1354-61 |
| Lee CJ, Lin P, Chandrasekaran V, et al. (2008) Proposed structural models of human factor Va and prothrombinase. Journal of Thrombosis and Haemostasis : Jth. 6: 83-9 |
| Lee CJ, Chandrasekaran V, Duke RE, et al. (2007) A proposed structural model of human protein Z. Journal of Thrombosis and Haemostasis : Jth. 5: 1558-61 |
| Colina CM, Venkateswarlu D, Duke R, et al. (2006) What causes the enhancement of activity of factor VIIa by tissue factor? Journal of Thrombosis and Haemostasis : Jth. 4: 2726-9 |