Solvents

Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics Simulations
Small-angle X-ray and small-angle neutron scattering (SAXS/SANS) provide unique structural information on biomolecules and their …
Po-chia Chen, Roman Shevchuk, Felix M. Strnad, Charlotte Lorenz, Lukas Karge, Ralph Gilles, Andreas M. Stadler, Janosch Hennig, Jochen Hub
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Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics Simulations
Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM
Membrane channels facilitate the efficient and selective flux of various solutes across biological membranes. A common approach to …
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Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM
CO$_2$ and O$_2$ Distribution in Rubisco Suggests the Small Subunit Functions as a CO$_2$ Reservoir
Protein–gas interactions are important in biology. The enzyme ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) catalyzes two …
Michiel van Lun, Jochen Hub, David van der Spoel, Inger Andersson
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CO$_2$ and O$_2$ Distribution in Rubisco Suggests the Small Subunit Functions as a CO$_2$ Reservoir