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Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy Method.
We present an explicit solvent alchemical free-energy method for optimizing the partial charges of a ligand to maximize the binding affinity with a receptor. This methodology can be applied to known ligand-protein complexes to...
Multiphase Methods in Organic Electrosynthesis

ConspectusWith water providing a highly favored solution environment for industrial processes (and in biological processes), it is interesting to develop water-based electrolysis processes for the synthesis and conversion of...

Lone-parent families and the Welfare State
K D M Snell, Jane Millar
Jan 01, 0001
As one of the most prestigious papers published in the journal Continuity and Change, this article is freely available from the website below.
Lymphoid dendritic cells are potent stimulators of the primary mixed leukocyte reaction in mice
Steinman, R.M., and Witmer, M.D. Lymphoid dendritic cells are potent stimulators of the primary mixed leukocyte reaction in mice. Proc. Natl. Acad. Sci. USA 75: 5132-5136, 1978
Preparation and thermal properties of block copolymers of PDMS with styrene or methyl methacrylate using ATRP
D A Brown, G J Price
Jan 01, 0001
This note describes the synthesis of A-B-A block copolymers with B = PDMS and A = polystyrene or PMMA. The method involves the use of chloromethyl terminated polysiloxanes as initiators for Atom Transfer Radical Polymerisation....
The Ursinus Weekly, December 2, 1929
Directors hold their annual fall meeting Women's Debating Club meets at Maples Monday Dr. Titus A. Alspach '07 delivers chapel sermon Men's student council tries many freshmen Albright beats bears in last game of season...
Published by: Ursinus College
Immunologic properties of purified epidermal Langerhans cells: Distinct requirements for stimulation of unprimed and sensitized T lymphocytes
Inaba, K., Schuler, G., Witmer, M., Valinsky, J., Atassi, B., and Steinman, R.M. Immunologic properties of purified epidermal Langerhans cells: Distinct requirements for stimulation of unprimed and sensitized T lymphocytes. J....
Chromatographic estimation of filler surface energies and correlation with photodegradation of kaolin filled polyethylene
D M Ansari, G J Price
Jan 01, 0001
Inverse gas chromatography (IGC) has been used to investigate the surface properties of two calcined kaolins and of polyethylene composites containing calcined kaolin. The results reveal differences in the two kaolins that were...
A closer look at chemotherapy-induced flagellate dermatitis.
Background: Flagellate dermatitis (FD) is a rare skin rash, which may occur following the administration of antineoplastic agents. It has been reported following the administration of bleomycin, docetaxel, trastuzumab...
Mixtures of Blue Phase Liquid Crystal with Simple Liquids
We numerically investigate the behavior of a phase-separating mixture of a blue phase I liquid crystal with an isotropic fluid. The resulting morphology is primarily controlled by an inverse capillary number, χ, setting the...
Szekeres universes with homogeneous scalar fields.
We consider the existence of an "inflaton" described by an homogeneous scalar field in the Szekeres cosmological metric. The gravitational field equations are reduced to two families of solutions which describe the homogeneous...
The Soundproof Model of an Acoustic–internal Waves System with Low Stratification
D Bresch, R Klein, X Liu
Aug 08, 2022
AbstractThis work is devoted to investigating a compressible fluid system with low stratification, which is driven by fast acoustic waves and internal waves. The approximation using a soundproof...
Generation of twin Fock states via transition from a two-component Mott insulator to a superfluid
We propose the dynamical creation of twin Fock states, which exhibit Heisenberg limited interferometric phase sensitivities, in an optical lattice. In our scheme a two-component Mott insulator with two bosonic atoms per lattice...
Fluid Power and Motion Control (FPMC 2008)
Proceedings of Bath/ASME Symposium on Fluid Power and Motion Control, Bath, September 2008.
Non-traditional stochastic models for ocean waves
We present two flexible stochastic models for 2D and 3D ocean waves with potential to reproduce severe and non-homogeneous sea conditions. The first family consists of generalized Lagrange models for the movements of individual...
Synthesis and characterisation of aluminium(III) imine bis(phenolate) complexes with application for the polymerisation of <i>rac</i>-LA

A series of tridentate imine bis(phenolate) ligands have been synthesised and complexed to aluminium. Solid-state analysis identified two structural motifs of an aluminium dimer...

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