publication venue for
- Computational Modeling of RNA Aptamers: Structure Prediction of the Apo State.. 126. 2022
- Binding Affinity Calculations of Gluten Peptides to HLA Risk Modifiers: DQ2.5 versus DQ7.5. 2022
- Molecular Insight into AC Electric Field Enhanced Removal of Protein Aggregates from a Material Surface. 2021
- Effects of Conformational Variation on Structural Insights from Solution-Phase Surface-Enhanced Raman Spectroscopy.. 125. 2021
- Near-Infrared Fluorescent Probes with Rotatable Polyacetylene Chains for the Detection of Amyloid-β Plaques.. 125. 2021
- Morphological Evolution of Strongly Fluorescent Water Soluble AIEEgen-Triblock Copolymer Mixed Aggregates with Shape-Dependent Cell Permeability.. 124. 2020
- Confinement in Nanodiscs Anisotropically Modifies Lipid Bilayer Elastic Properties.. 124. 2020
- Large-Scale Study of Hydration Environments through Hydration Sites.. 123. 2019
- Role of Terahertz (THz) Fluctuations in the Allosteric Properties of the PDZ Domains.. 121. 2017
- Whole Ribosome NMR: Dipolar Couplings and Contributions to Whole Cells.. 121. 2017
- How accurately do current force fields predict experimental peptide conformations? An adiabatic free energy dynamics study.. 118. 2014
- Epithelial-mesenchymal transition enhances nanoscale actin filament dynamics of ovarian cancer cells.. 117. 2013
- Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes.. 117. 2013
- How cholesterol tilt modulates the mechanical properties of saturated and unsaturated lipid membranes.. 117. 2013
- Determination of 15N chemical shift anisotropy from a membrane-bound protein by NMR spectroscopy.. 116. 2012
- Structural intermediates in a model of the substrate translocation path of the bacterial glutamate transporter homologue GltPh.. 116. 2012
- Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. I: molecular dynamics simulations.. 115. 2011
- Gramicidin A backbone and side chain dynamics evaluated by molecular dynamics simulations and nuclear magnetic resonance experiments. II: nuclear magnetic resonance experiments.. 115. 2011
- Energetics of double-ion occupancy in the gramicidin A channel.. 114. 2010
- Cholesterol modulates the membrane effects and spatial organization of membrane-penetrating ligands for G-protein coupled receptors.. 114. 2010
- Cholesterol orientation and tilt modulus in DMPC bilayers.. 114. 2010
- Finite-element model of interaction between fungal polysaccharide and monoclonal antibody in the capsule of Cryptococcus neoformans.. 112. 2008
- Optical spectra of Cu(II)-azurin by hybrid TDDFT-molecular dynamics simulations.. 111. 2007
- Gemini surfactants at the air/water interface: a fully atomistic molecular dynamics study.. 110. 2006
- Self-assembling cyclic peptides: molecular dynamics studies of dimers in polar and nonpolar solvents.. 110. 2006
- Cross-correlated relaxation between H1' chemical shift anisotropy and H1'-H2' dipolar relaxation mechanisms in ribonucleosides: application to the characterization of their anomeric configuration.. 110. 2006