György M. Keserü A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 2001, v:15, n:7, pp:649-657 [Journal]
István Kolossváry, György M. Keserü Hessian-free low-mode conformational search for large-scale protein loop optimization: application to c-jun N-terminal kinase JNK3. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2001, v:22, n:1, pp:21-30 [Journal]
György M. Keserü, László Molnár High-Throughput Prediction of Blood-Brain Partitioning: A Thermodynamic Approach. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:1, pp:120-128 [Journal]
Tímea Polgár, György M. Keserü Ensemble Docking into Flexible Active Sites. Critical Evaluation of FlexE against JNK-3 and beta-Secretase. [Citation Graph (0, 0)][DBLP] Journal of Chemical Information and Modeling, 2006, v:46, n:4, pp:1795-1805 [Journal]
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