De novo tertiary structure prediction using RNA123—benchmarking and application to Macugen
Authors (first, second and last of 4)
Collection
Topical Collection 9th European Conference on Computational Chemistry (EuCo-CC9)
Guest edited by Péter G. Szalay
Articles (16 in this collection)
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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
Authors (first, second and last of 18)
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Computational and experimental studies on the triplet states of various N-substituted 4,5,6,7-tetrachlorophthalimides
Authors (first, second and last of 7)
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Modeling bacterial quorum sensing in open and closed environments: potential discrepancies between agar plate and culture flask experiments
Authors (first, second and last of 5)
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An innovative synergistic grid approach to the computational study of protein aggregation mechanisms
Authors (first, second and last of 6)
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Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study
Authors (first, second and last of 6)
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Ab initio molecular simulations for proposing novel peptide inhibitors blocking the ligand-binding pocket of urokinase receptor
Authors (first, second and last of 6)
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