Journal of Molecular Modeling

Journal Abbreviation: J MOL MODEL
ISSN: 1610-2940
Publisher: Springer Verlag (Germany)

Publications (62)

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Unpublished / Preprint

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Abstract

Correspondence between the reaction force minimum and the onset of abrupt variations of the kinetic and potential energies in bond dissociation and formation (2024) Politzer P, Gutiérrez-Oliva S, Clark T, Murray JS Journal article How deeply should we analyze non-covalent interactions? (2023) Clark T Journal article Molecular dynamics simulation study of NH4+ and NH2− in liquid ammonia: interaction potentials, structural and dynamical properties (2022) Wonglakhon T, Zahn D Journal article If you do not try, you will never know!: Foreword for the Tim Clark 70th Birthday Festschrift (2020) Jäger CM, Lanig H Journal article Solid state NMR and computational studies on cyclopentadienyl lithium (2019) Jiao H, Bauer W Journal article Structure-based exploration of an allosteric binding pocket in the NTS1 receptor using bitopic NT(8-13) derivatives and molecular dynamics simulations (2019) Kling R, Burchardt C, Einsiedel J, Hübner H, Gmeiner P Journal article The Feynman dispersion correction for MNDO extended to F, Cl, Br and I (2019) Kriebel M, Heßelmann A, Hennemann M, Clark T Journal article Benchmarking and optimization of molecular simulation models of zinc dialkyldithiophosphate and calcium sulfonate oil additives (2019) Ectors P, Zahn D Journal article Study of the Wilcox torsion balance in solution for a Troger's base derivative with hexyl-and heptyl substituents using a combined molecular mechanics and quantum chemistry approach (2019) Heßelmann A, Ferraro F Journal article Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers (2019) Huraskin D, Horn A Journal article