Christel M. Marian
According to our database1, Christel M. Marian authored at least 7 papers between 1998 and 2010.
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QM/MM calculation of solvent effects on absorption spectra of guanine.
Journal of Computational Chemistry, 2010
AIScore Chemically Diverse Empirical Scoring Function Employing Quantum Chemical Binding Energies of Hydrogen-Bonded Complexes.
Journal of Chemical Information and Modeling, 2008
Quantum chemical investigation of hydrogen-bond strengths and partition into donor and acceptor contributions.
Journal of Computational Chemistry, 2007
Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies.
Journal of Chemical Information and Modeling, 2006
Molecular design of two sterol 14α-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole.
Journal of Computer-Aided Molecular Design, 2005
Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene.
Journal of Computational Chemistry, 2002
Ab initio prediction of 15N-NMR chemical shift in -boron nitride based on an analysis of connectivities.
Journal of Computational Chemistry, 1998