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Anion-cation contrast of small molecule solvation in salt solutions

Accuracy and precision of binding free energy prediction for a tacrine related lead inhibitor of acetylcholinesterase with an arsenal of supercomputerized molecular modelling methods: a comparative study

Optimized equation of the state of the square-well fluid of variable range based on a fourth-order free-energy expansion

A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects

Reference Simulations of Noncanonical Nucleic Acids with Different chi Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA

Molecular modelling study of free-energy landscape of oxytocin

Implicit Type Constitutive Relations for Elastic Solids and Their Use in the Development of Mathematical Models for Viscoelastic Fluids

Application of Discrete Hexagonal Element Method to Fracture Mechanics Problems

Molecular Clusters: Potential Energy and Free Energy Surfaces. Quantum Chemical ab initio and Computer Simulation Studies.

Holba and Korzhinski Treatments of Hyperfree Energy Effective to Thermodynamics of Partially Open Solid-State Systems of Nonstoichiometric Oxides