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- Sep 8, 2015
A Structure-Based Virtual Screening Approach for Discovery of Covalently Bound Ligands
Toledo Warshaviak, et al. J. Chem. Inf. Model, 2014, 54(7), 1941-1950- Publication
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Structure of the Arabidopsis thaliana TOP2 oligopeptidase
Wang, et al. Acta. Crystallogr. F Struct. Biol. Commun., 2014, 70(Pt 5), 555-559- Publication
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Theoretical Study of Cisplatin Binding to Purine Bases: Why Does Cisplatin Prefer Guanine over Adenine as Substrate?
Baik, et al. J. Am. Chem. Soc., 2003, 125, 14082-14092- Publication
- Sep 8, 2015
A Structure-Based Model for Predicting Serum Albumin Binding
Lexa, et al. PLoS ONE, 2014, 9(4), e93323- Publication
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Mechanistic Studies on the Hydroxylation of Methane by Methane Monooxygenase
Baik, et al. Chemical Reviews, 2003, 103, 2385-2419- Publication
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Peripheral Heme Substituents Control the Hydrogen-Atom Abstraction Chemistry in Cytochromes P450
Guallar, et al. Proc. Nat. Acad. Sci. USA, 2003, 100, 6998-7002- Publication
- Sep 8, 2015
A Computational Approach to Enzyme Design: Predicting ‘-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring
Sirin, et al. J. Chem. Inf. Model., 2014, 54(8), 2334-2346- Publication
- Sep 8, 2015
How Iron-containing Proteins Control Dioxygen Chemistry: A Detailed Atomic Level Description via Accurate Quantum Chemical and Mixed Quantum Mechanics/Molecular Mechanics Calculations
Friesner, et al. Coordination Chemistry Reviews, 2003, 238-239, 267-290- Publication
- Sep 8, 2015
Physics-Based Enzyme Design: Predicting Binding Affinity and Catalytic Activity
Sirin, et al. Proteins, 2014, 82(12), 3397-409- Publication
- Sep 8, 2015
Reversible Dioxygen Binding to Hemerythrin
Wirstam, et al. J. Am. Chem. Soc., 2003, 125, 3980-3987- Publication
- Sep 8, 2015
Mechanistic and Computational Studies of the Reductive Half-Reaction of Tyrosine to Phenylalanine Active Site Variants of d-Arginine Dehydrogenase
Gannavaram, et al. Biochemistry, 2014, 53(41), 6574-6583- Publication
- Sep 8, 2015
Hydroxylation of Methane by Non-Heme Diiron Enzymes: Molecular Orbital Analysis of the C-H Bond Activation by Reactive Intermediate Q
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