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Ahmed E. Ismail
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Industrial applications of enzymes: Recent advances, techniques, and outlooks
J Chapman, A Ismail, C Dinu
Catalysts 8 (6), 238, 2018
7212018
Capillary waves at the liquid-vapor interface and the surface tension of water
AE Ismail, GS Grest, MJ Stevens
The Journal of chemical physics 125 (1), 014702, 2006
2432006
Capillary waves at the liquid-vapor interface and the surface tension of water models
AE Ismail, GS Grest, MJ Stevens
arXiv preprint cond-mat/0605104, 0
243*
Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
M Döntgen, MD Przybylski-Freund, LC Kröger, WA Kopp, AE Ismail, ...
Journal of chemical theory and computation 11 (6), 2517-2524, 2015
2012015
Development and application of a particle-particle particle-mesh Ewald method for dispersion interactions
RE Isele-Holder, W Mitchell, AE Ismail
The Journal of chemical physics 137 (17), 174107, 2012
1482012
Application of Ewald summations to long-range dispersion forces
PJ in 't Veld, AE Ismail, GS Grest
The Journal of chemical physics 127 (14), 144711, 2007
1432007
Effects of Water Concentration on the Structural and Diffusion Properties of Imidazolium-Based Ionic Liquid–Water Mixtures
AA Niazi, BD Rabideau, AE Ismail
The Journal of Physical Chemistry B 117 (5), 1378-1388, 2013
1342013
Observed Mechanism for the Breakup of Small Bundles of Cellulose Iα and Iβ in Ionic Liquids from Molecular Dynamics Simulations
BD Rabideau, A Agarwal, AE Ismail
The Journal of Physical Chemistry B 117 (13), 3469-3479, 2013
1242013
The Role of the Cation in the Solvation of Cellulose by Imidazolium-Based Ionic Liquids
BD Rabideau, A Agarwal, AE Ismail
The Journal of Physical Chemistry B 118 (6), 1621-1629, 2014
1132014
Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content
BD Rabideau, AE Ismail
Physical Chemistry Chemical Physics 17 (8), 5767-5775, 2015
1122015
Interfacial Structure and Dynamics of Siloxane Systems: PDMS− Vapor and PDMS− Water
AE Ismail, GS Grest, DR Heine, MJ Stevens, M Tsige
Macromolecules 42 (8), 3186-3194, 2009
1012009
On the Applicability of Force Fields to Study the Aggregation of Amyloidogenic Peptides Using Molecular Dynamics Simulations
M Carballo-Pacheco, AE Ismail, B Strodel
Journal of chemical theory and computation, 2018
742018
Forces between functionalized silica nanoparticles in solution
JMD Lane, AE Ismail, M Chandross, CD Lorenz, GS Grest
Physical Review E 79 (5), 050501, 2009
732009
Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties
AE Ismail, GC Rutledge, G Stephanopoulos
The Journal of chemical physics 118 (10), 4414-4423, 2003
732003
Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation
RE Isele-Holder, W Mitchell, JR Hammond, A Kohlmeyer, AE Ismail
Journal of Chemical Theory and Computation 9 (12), 5412-5420, 2013
632013
Multiresolution analysis in statistical mechanics. II. The wavelet transform as a basis for Monte Carlo simulations on lattices
AE Ismail, G Stephanopoulos, GC Rutledge
The Journal of chemical physics 118 (10), 4424-4431, 2003
612003
Surface tension of normal and branched alkanes
AE Ismail, M Tsige, PJ in't Veld, GS Grest
Molecular Physics 105 (23-24), 3155-3163, 2007
56*2007
Structure and dynamics of water near the interface with oligo (ethylene oxide) self-assembled monolayers
AE Ismail, GS Grest, MJ Stevens
Langmuir 23 (16), 8508-8514, 2007
492007
Linear, non-linear and plastic bending deformation of cellulose nanocrystals
P Chen, Y Ogawa, N Yoshiharu, AE Ismail, K Mazeau
Physical Chemistry Chemical Physics, 2016
452016
Effect of Water Content in N-Methylmorpholine N-Oxide/Cellulose Solutions on Thermodynamics, Structure, and Hydrogen Bonding
BD Rabideau, AE Ismail
The Journal of Physical Chemistry B 119 (48), 15014-15022, 2015
432015
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