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CHEMISTRY OF BUCKYBOWL FROM CLOSED-SHELL TO OPEN-SHELL
Simple Entropy Terms for End-Point Binding Free Energy Calculations
Efficiency of Stratification for Ensemble Reduction based on docking scores
Implicit ligand theory: binding free energy calculations based on multiple rigid receptor snapshots
Computational study on the heme scavenging ability of Staphylococcus aureus IsdH receptor: Utilizing molecular dynamics to understand an unknown mechanism
THE INTERACTION BETWEEN COINAGE OR ALKALI METALS AND POLYAROMATIC HYDROCARBONS
USING COMPUTATIONAL MOLECULAR MODELING TO STUDY TRANSPORT PROCESSES OF INTEREST IN SEPARATIONS
AN EXPLORATION INTO THE EFFECTS OF CHROMATIN STRUCTURAL PROTEINS ON THE DYNAMICS AND ENERGETIC LANDSCAPE OF NUCLEOSOME ARCHITECTURES
SEPARATING NOBLE GASES SUCH AS KRYPTON AND XENON FROM NUCLEAR POWER PLANTS OFF-GAS USING DD3R ZEOLITIC MEMBRANES: A COMPUTATIONAL MOLECULAR DYNAMICS STUDY
Cardiolipin Modulates the Insertion of Adsorbed Helical Amyloid Beta Peptide Into Model Mitochondrial Membranes
Cardiolipin Modulates the Insertion of Adsorbed Helical Amyloid Beta Peptide Into Model Mitochondrial Membranes