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Publications by Cassidy S. Gierhart
Predicting Water-To-Cyclohexane Partitioning of the SAMPL5 Molecules Using Dielectric Balancing of Force Fields
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Related publications
Prediction of Cyclohexane-Water Distribution Coefficients for the SAMPL5 Data Set Using Molecular Dynamics Simulations With the OPLS-AA Force Field
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Water Molecules in Ultrashort Intense Laser Fields
Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
Partitioning of Unstructured Meshes for Load Balancing
Concurrency: Practice and Experience
Calculating Distribution Coefficients Based on Multi-Scale Free Energy Simulations: An Evaluation of MM and QM/MM Explicit Solvent Simulations of Water-Cyclohexane Transfer in the SAMPL5 Challenge
Journal of Computer-Aided Molecular Design
Theoretical Chemistry
Drug Discovery
Computer Science Applications
Physical
Further Refinements of Next-Generation Force Fields — Nonempirical Localization of Off-Centered Points in Molecules
Canadian Journal of Chemistry
Organic Chemistry
Catalysis
Chemistry
.Beta.-Carboline Photosensitizers. 3. Studies on Ground and Excited State Partitioning in AOT/Water/Cyclohexane Microemulsions
The Journal of Physical Chemistry
Predicting Melting Points of Organic Molecules: Applications to Aqueous Solubility Prediction Using the General Solubility Equation
Molecular Informatics
Organic Chemistry
Drug Discovery
Computer Science Applications
Molecular Medicine
Structural Biology
Predicting the Dielectric Response of Saturated Sandstones Using a 2-Electrode Measuring System
Frontiers in Physics
Materials Science
Biophysics
Theoretical Chemistry
Mathematical Physics
Astronomy
Physics
Physical
Three Dimensional Alignment of Molecules Using Elliptically Polarized Laser Fields
Physical Review Letters
Astronomy
Physics
