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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