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Robert E. Duke - Publications

Affiliations: 
Chemistry University of North Carolina, Chapel Hill, Chapel Hill, NC 
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12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Elking DM, Perera L, Duke R, Darden T, Pedersen LG. A finite field method for calculating molecular polarizability tensors for arbitrary multipole rank. Journal of Computational Chemistry. 32: 3283-95. PMID 21915883 DOI: 10.1002/Jcc.21914  0.466
2010 Cerutti DS, Freddolino PL, Duke RE, Case DA. 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. PMID 20860388 DOI: 10.1021/Jp105813J  0.441
2010 Elking DM, Perera L, Duke R, Darden T, Pedersen LG. Atomic forces for geometry-dependent point multipole and gaussian multipole models. Journal of Computational Chemistry. 31: 2702-13. PMID 20839297 DOI: 10.1002/Jcc.21563  0.506
2010 Lee CJ, Chandrasekaran V, Wu S, Duke RE, Pedersen LG. Recent estimates of the structure of the factor VIIa (FVIIa)/tissue factor (TF) and factor Xa (FXa) ternary complex. Thrombosis Research. 125: S7-S10. PMID 20156644 DOI: 10.1016/J.Thromres.2010.01.022  0.578
2009 Jiao D, Zhang J, Duke RE, Li G, Schnieders MJ, Ren P. Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potential. Journal of Computational Chemistry. 30: 1701-11. PMID 19399779 DOI: 10.1002/Jcc.21268  0.346
2009 Chandrasekaran V, Lee CJ, Lin P, Duke RE, Pedersen LG. 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. PMID 19172319 DOI: 10.1007/S00894-008-0444-3  0.605
2008 Chandrasekaran V, Lee CJ, Duke RE, Perera L, Pedersen LG. 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. PMID 18493021 DOI: 10.1110/Ps.034801.108  0.564
2008 Lee CJ, Lin P, Chandrasekaran V, Duke RE, Everse SJ, Perera L, Pedersen LG. Proposed structural models of human factor Va and prothrombinase. Journal of Thrombosis and Haemostasis : Jth. 6: 83-9. PMID 17973648 DOI: 10.1111/J.1538-7836.2007.02821.X  0.61
2007 Lee CJ, Chandrasekaran V, Duke RE, Perera L, Pedersen LG. A proposed structural model of human protein Z. Journal of Thrombosis and Haemostasis : Jth. 5: 1558-61. PMID 17456189 DOI: 10.1111/J.1538-7836.2007.02597.X  0.528
2006 Colina CM, Venkateswarlu D, Duke R, Perera L, Pedersen LG. What causes the enhancement of activity of factor VIIa by tissue factor? Journal of Thrombosis and Haemostasis : Jth. 4: 2726-9. PMID 17002651 DOI: 10.1111/J.1538-7836.2006.02222.X  0.452
2004 Perera L, Darden TA, Duke RE, Venkateswarlu D, Pedersen LG. Early unfolding response of a stable protein domain to environmental changes Journal of Physical Chemistry A. 108: 9834-9840. DOI: 10.1021/Jp048385L  0.541
2003 Venkateswarlu D, Duke RE, Perera L, Darden TA, Pedersen LG. An all-atom solution-equilibrated model for human extrinsic blood coagulation complex (sTF-VIIa-Xa): a protein-protein docking and molecular dynamics refinement study. Journal of Thrombosis and Haemostasis : Jth. 1: 2577-88. PMID 14750502 DOI: 10.1111/J.1538-7836.2003.00421.X  0.614
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