A. P. Santos

Steered molecular dynamics study of inhibitor binding in the internal binding site in dehaloperoxidase-hemoglobin.

Lijun Liang, Tao Wu, Zhisen Zhang, 2016, Biophysical chemistry.

Thermodynamic signatures and cluster properties of self-assembly in systems with competing interactions.

A. Panagiotopoulos, A. P. Santos, J. Pe Combining Cedilla Kalski, 2017, Soft matter.

Surfactant and Colloid Self-Assembly Simulations

A. P. Santos, 2019 .

Probing the Statistical Validity of the Ductile-to-Brittle Transition in Metallic Nanowires Using GPU Computing.

Peter T Cummings, C. Iacovella, P. Cummings, 2013, Journal of chemical theory and computation.

Differences in free surfactant concentration and aggregation properties for amphiphiles with the same critical micelle concentration

A. Panagiotopoulos, A. P. Santos, Sally Jiao, 2017, Fluid Phase Equilibria.

Determination of the critical micelle concentration in simulations of surfactant systems.

A. Panagiotopoulos, A. P. Santos, 2016, The Journal of chemical physics.