2017
Cover Image, Volume 7, Issue 1
Ramakrishnan S, Zhu J, Gergely C. Cover Image, Volume 7, Issue 1. Wiley Interdisciplinary Reviews Computational Molecular Science 2017, 7 DOI: 10.1002/wcms.1302.Peer-Reviewed Original Research
2016
Organic–inorganic interface simulation for new material discoveries
Ramakrishnan S, Zhu J, Gergely C. Organic–inorganic interface simulation for new material discoveries. Wiley Interdisciplinary Reviews Computational Molecular Science 2016, 7 DOI: 10.1002/wcms.1277.Peer-Reviewed Original ResearchProtein-surface interactionsMol Sci 2017Protein adsorption behaviorForce field developmentMolecular simulation methodsOrganic-inorganic interactionsNew materials discoveryInorganic surfacesBio-interfacesInterface scienceAdsorption behaviorComputational materials scienceSolvation effectsComputational BiochemistryNanobiotechnological applicationsMolecular simulationsFF parametersCoarse-grain simulationsMaterials discoveryConformational samplingMolecular dynamicsMaterials scienceAtomic levelNanoscale levelSurface morphology