I. Stott

发表

Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients.

Richard L. Anderson, P. B. Warren, M. Noro, 2017, The Journal of chemical physics.

Proteochemometrics ( PCM ) with ’ camb ’ C hemistry A ware

Daniel S. Murrell, R. Glen, A. Bender, 2015 .

Laboratory studies of the mechanism of the oxygen airglow

B. Thrush, I. Stott, 1989, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

Coarse-Grained Model Incorporating Short- and Long-Range Effective Potentials for the Fast Simulation of Micelle Formation in Solutions of Ionic Surfactants.

V. Mavrantzas, S. Peroukidis, I. Stott, 2022, The journal of physical chemistry. B.

Using Machine Learning to Predict Synergistic Antimalarial Compound Combinations With Novel Structures

Andreas Bender, Rajarshi Guha, Richard T. Eastman, 2018, Front. Pharmacol..

Analytical modeling of micelle growth. 1. Chain-conformation free energy of binary mixed spherical, wormlike and lamellar micelles.

S. Stoyanov, K. Danov, P. Kralchevsky, 2019, Journal of colloid and interface science.

Growth of wormlike micelles in nonionic surfactant solutions: Quantitative theory vs. experiment.

S. Stoyanov, K. Danov, E. Pelan, 2018, Advances in colloid and interface science.

Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-grained MARTINI Simulations Followed by Reverse-mapped All-atom Molecular Dynamics Simulations.

V. Mavrantzas, M. Noro, S. Peroukidis, 2020, Journal of chemical theory and computation.

Molecular simulation of the morphology and viscosity of aqueous micellar solutions of sodium lauryl ether sulfate (SLEnS)

V. Mavrantzas, S. Peroukidis, I. Stott, 2021 .

Analytical modeling of micelle growth. 2. Molecular thermodynamics of mixed aggregates and scission energy in wormlike micelles.

S. Stoyanov, K. Danov, P. Kralchevsky, 2019, Journal of colloid and interface science.

Analytical modeling of micelle growth. 4. Molecular thermodynamics of wormlike micelles from ionic surfactants: Theory vs. experiment.

S. Stoyanov, K. Danov, P. Kralchevsky, 2020, Journal of colloid and interface science.

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Therese E. Malliavin, 2015, Journal of Cheminformatics.

Patenting computer-designed peptides

Shail Patel, Ian P. Stott, Manmohan Bhakoo, 1998, Journal of computer-aided molecular design.

Prediction of Antibiotic Interactions Using Descriptors Derived from Molecular Structure.

Andreas Bender, Ian Stott, Murat Cokol, 2017, Journal of medicinal chemistry.

Flutriafol, ethirimol, and thiabendazole seed treatment - an update on field performance and resistance monitoring.

I. Stott, R. Noon, S. Heaney, 1990 .

Analytical modeling of micelle growth. 3. Electrostatic free energy of ionic wormlike micelles - Effects of activity coefficients and spatially confined electric double layers.

S. Stoyanov, K. Danov, P. Kralchevsky, 2020, Journal of colloid and interface science.

Patenting evolved batericidal peptides

Shail Patel, Ian P. Stott, Manmohan Bhakoo, 2001 .

Local density dependent potentials for an underlying van der Waals equation of state: A simulation and density functional theory analysis.

I. Stott, James P D O'Connor, Joanne L Cook, 2023, The Journal of chemical physics.