Klaus Roman Liedl
Affiliations: | 1995 | University of Innsbruck, Innsbruck, Tirol, Austria |
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Publications
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| Spinn A, Handle PH, Kraml J, et al. (2020) Charge Anisotropy of Nitrogen: Where Chemical Intuition Fails. Journal of Chemical Theory and Computation |
| Ahmad S, Raza S, Abro A, et al. (2018) Towards novel inhibitors against KdsB: A highly specific and selective broad-spectrum bacterial enzyme. Journal of Biomolecular Structure & Dynamics. 1-47 |
| Ul Haq F, Abro A, Raza S, et al. (2017) Molecular dynamics simulation studies of novel β-lactamase inhibitor. Journal of Molecular Graphics & Modelling. 74: 143-152 |
| Abbasi S, Raza S, Azam SS, et al. (2016) Interaction mechanisms of a melatonergic inhibitor in the melatonin synthesis pathway Journal of Molecular Liquids. 221: 507-517 |
| KROEMER RT, GSTACH H, LIEDL KR, et al. (2010) ChemInform Abstract: 1,2-Carbon to Nitrogen Migrations. Part 2. Ab initio Study on the Rearrangement of (α-Methylazo)alkyl Isocyanates. Cheminform. 26: no-no |
| Zaheer-Ul-Haq ZU, Wellenzohn B, Liedl KR, et al. (2003) Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca saligna. Journal of Medicinal Chemistry. 46: 5087-90 |
| Loeffler HH, Sotriffer CA, Winger RH, et al. (2001) Calculation of sequence-dependent free energies of hydration of dipeptides formed by alanine and glycine Journal of Computational Chemistry. 22: 846-860 |
| Sotriffer CA, Rode BM, Varga JM, et al. (2000) Elbow flexibility and ligand-induced domain rearrangements in antibody Fab NC6.8: large effects of a small hapten. Biophysical Journal. 79: 614-28 |
| Sotriffer CA, Flader W, Winger RH, et al. (2000) Automated docking of ligands to antibodies: methods and applications. Methods (San Diego, Calif.). 20: 280-91 |
| Gargallo R, Sotriffer CA, Liedl KR, et al. (2000) Application of multivariate data analysis methods to comparative molecular field analysis (CoMFA) data: proton affinities and pKa prediction for nucleic acids components. Journal of Computer-Aided Molecular Design. 13: 611-23 |