Biophysical Chemistry
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- 2017
- Dynamics of Aromatic Side Chains in the Active Site of FKBP12
- Site-selective 13C labeling of proteins using erythrose
- Theory of water-proton spin relaxation in complex biological systems
- Structural model of dodecameric heat-shock protein Hsp21 : Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity
- The Dynameomics Entropy Dictionary : A Large-Scale Assessment of Conformational Entropy across Protein Fold Space
- 2016
- Resolving the problem of trapped water in binding cavities : prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics
- Insights on the structural perturbations in human MTHFR Ala222Val mutant by protein modeling and molecular dynamics
- Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
- Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems.
- A Microfluidic Platform for Real-Time Detection and Quantification of Protein-Ligand Interactions