György M. Keserü

List of publications from the DBLP Bibliography Server - FAQ

2006

5 EE Tímea Polgár, György M. Keserü: Ensemble Docking into Flexible Active Sites. Critical Evaluation of FlexE against JNK-3 and beta-Secretase. Journal of Chemical Information and Modeling 46(4): 1795-1805 (2006)

2002

4 EE György M. Keserü, László Molnár: METAPRINT: A Metabolic Fingerprint. Application to Cassette Design for High-Throughput ADME Screening. Journal of Chemical Information and Computer Sciences 42(2): 437-444 (2002)

2001

3 EE György M. Keserü, László Molnár: High-Throughput Prediction of Blood-Brain Partitioning: A Thermodynamic Approach. Journal of Chemical Information and Computer Sciences 41(1): 120-128 (2001)

2 EE 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. Journal of Computational Chemistry 22(1): 21-30 (2001)

1 EE György M. Keserü: A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism. Journal of Computer-Aided Molecular Design 15(7): 649-657 (2001)

2006
5	EE	Tímea Polgár, György M. Keserü: Ensemble Docking into Flexible Active Sites. Critical Evaluation of FlexE against JNK-3 and beta-Secretase. Journal of Chemical Information and Modeling 46(4): 1795-1805 (2006)
2002
4	EE	György M. Keserü, László Molnár: METAPRINT: A Metabolic Fingerprint. Application to Cassette Design for High-Throughput ADME Screening. Journal of Chemical Information and Computer Sciences 42(2): 437-444 (2002)
2001
3	EE	György M. Keserü, László Molnár: High-Throughput Prediction of Blood-Brain Partitioning: A Thermodynamic Approach. Journal of Chemical Information and Computer Sciences 41(1): 120-128 (2001)
2	EE	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. Journal of Computational Chemistry 22(1): 21-30 (2001)
1	EE	György M. Keserü: A virtual high throughput screen for high affinity cytochrome P450cam substrates. Implications for in silico prediction of drug metabolism. Journal of Computer-Aided Molecular Design 15(7): 649-657 (2001)

Coauthor Index