Luty BA[Author] - Search Results

Year	Number of Results
1991	1
1992	1
1993	1
1994	2
1998	1
1999	2
2000	1
2001	1
2002	1
2022	1
2024	0

1

Diffusion-controlled enzymatic reactions.

Davis ME, Madura JD, Sines J, Luty BA, Allison SA, McCammon JA. Davis ME, et al. Among authors: luty ba. Methods Enzymol. 1991;202:473-97. doi: 10.1016/0076-6879(91)02024-4. Methods Enzymol. 1991. PMID: 1784185 No abstract available.

2

Towards understanding the mechanisms of molecular recognition by computer simulations of ligand-protein interactions.

Verkhivker GM, Rejto PA, Bouzida D, Arthurs S, Colson AB, Freer ST, Gehlhaar DK, Larson V, Luty BA, Marrone T, Rose PW. Verkhivker GM, et al. Among authors: luty ba. J Mol Recognit. 1999 Nov-Dec;12(6):371-89. doi: 10.1002/(SICI)1099-1352(199911/12)12:6<371::AID-JMR479>3.0.CO;2-O. J Mol Recognit. 1999. PMID: 10611647 Review.

3

The Pfizer Crystal Structure Database: An essential tool for structure-based design at Pfizer.

Gehlhaar DK, Luty BA, Cheung PP, Litman AH, Owen RM, Rose PW. Gehlhaar DK, et al. Among authors: luty ba. J Comput Chem. 2022 Jun 5;43(15):1053-1062. doi: 10.1002/jcc.26862. Epub 2022 Apr 8. J Comput Chem. 2022. PMID: 35394655

4

Simulation of enzyme-substrate encounter with gated active sites.

Wade RC, Luty BA, Demchuk E, Madura JD, Davis ME, Briggs JM, McCammon JA. Wade RC, et al. Among authors: luty ba. Nat Struct Biol. 1994 Jan;1(1):65-9. doi: 10.1038/nsb0194-65. Nat Struct Biol. 1994. PMID: 7656010

5

Combined conformational search and finite-difference Poisson-Boltzmann approach for flexible docking. Application to an operator mutation in the lambda repressor-operator complex.

Zacharias M, Luty BA, Davis ME, McCammon JA. Zacharias M, et al. Among authors: luty ba. J Mol Biol. 1994 May 6;238(3):455-65. doi: 10.1006/jmbi.1994.1304. J Mol Biol. 1994. PMID: 8176736

6

Deciphering common failures in molecular docking of ligand-protein complexes.

Verkhivker GM, Bouzida D, Gehlhaar DK, Rejto PA, Arthurs S, Colson AB, Freer ST, Larson V, Luty BA, Marrone T, Rose PW. Verkhivker GM, et al. Among authors: luty ba. J Comput Aided Mol Des. 2000 Nov;14(8):731-51. doi: 10.1023/a:1008158231558. J Comput Aided Mol Des. 2000. PMID: 11131967

7

Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme.

Wade RC, Davis ME, Luty BA, Madura JD, McCammon JA. Wade RC, et al. Among authors: luty ba. Biophys J. 1993 Jan;64(1):9-15. doi: 10.1016/S0006-3495(93)81335-3. Biophys J. 1993. PMID: 8431552 Free PMC article.

8

Thermodynamics and kinetics of ligand-protein binding studied with the weighted histogram analysis method and simulated annealing.

Bouzida D, Arthurs S, Colson AB, Freer ST, Gehlhaar DK, Larson V, Luty BA, Rejto PA, Rose PW, Verkhivker GM. Bouzida D, et al. Among authors: luty ba. Pac Symp Biocomput. 1999:426-37. doi: 10.1142/9789814447300_0042. Pac Symp Biocomput. 1999. PMID: 10380216 Free article.

9

Hierarchy of simulation models in predicting structure and energetics of the Src SH2 domain binding to tyrosyl phosphopeptides.

Verkhivker GM, Bouzida D, Gehlhaar DK, Rejto PA, Schaffer L, Arthurs S, Colson AB, Freer ST, Larson V, Luty BA, Marrone T, Rose PW. Verkhivker GM, et al. Among authors: luty ba. J Med Chem. 2002 Jan 3;45(1):72-89. doi: 10.1021/jm0101141. J Med Chem. 2002. PMID: 11754580

10

Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: structural analysis of the peptide complexes with SH2 domains.

Verkhivker GM, Bouzida D, Gehlhaar DK, Rejto PA, Schaffer L, Arthurs S, Colson AB, Freer ST, Larson V, Luty BA, Marrone T, Rose PW. Verkhivker GM, et al. Among authors: luty ba. Proteins. 2001 Dec 1;45(4):456-70. doi: 10.1002/prot.10019. Proteins. 2001. PMID: 11746693

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