A Structure-Based Virtual Screening Approach for Discovery of Covalently Bound Ligands Posted on September 8, 2015December 13, 2024 by Anonymous
Structure of the Arabidopsis thaliana TOP2 oligopeptidase Posted on September 8, 2015December 13, 2024 by Anonymous
Theoretical Study of Cisplatin Binding to Purine Bases: Why Does Cisplatin Prefer Guanine over Adenine as Substrate? Posted on September 8, 2015December 13, 2024 by Anonymous
A Structure-Based Model for Predicting Serum Albumin Binding Posted on September 8, 2015December 13, 2024 by Anonymous
Mechanistic Studies on the Hydroxylation of Methane by Methane Monooxygenase Posted on September 8, 2015December 13, 2024 by Anonymous
Peripheral Heme Substituents Control the Hydrogen-Atom Abstraction Chemistry in Cytochromes P450 Posted on September 8, 2015December 13, 2024 by Anonymous
A Computational Approach to Enzyme Design: Predicting ‘-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring Posted on September 8, 2015December 13, 2024 by Anonymous
How Iron-containing Proteins Control Dioxygen Chemistry: A Detailed Atomic Level Description via Accurate Quantum Chemical and Mixed Quantum Mechanics/Molecular Mechanics Calculations Posted on September 8, 2015December 13, 2024 by Anonymous
Physics-Based Enzyme Design: Predicting Binding Affinity and Catalytic Activity Posted on September 8, 2015December 13, 2024 by Anonymous
Mechanistic and Computational Studies of the Reductive Half-Reaction of Tyrosine to Phenylalanine Active Site Variants of d-Arginine Dehydrogenase Posted on September 8, 2015December 13, 2024 by Anonymous
Hydroxylation of Methane by Non-Heme Diiron Enzymes: Molecular Orbital Analysis of the C-H Bond Activation by Reactive Intermediate Q Posted on September 8, 2015December 13, 2024 by Anonymous