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Molecular Modeling :: Scientific Advisory Board :: Publications

Jörg Weiser - Publications

22. Authors: Guzzi, C.; Alfarano, P.; Sutkeviciute, I.; Sattin, S.; Ribeiro-Viana, R.; Fieschi, F.; Bernardi, A.; Weiser, J.; Rojo, J.; Angulo, J.; Nieto, P.M.
Title: „Detection and quantitative analysis of two independent binding modes of a small ligand responsible for DC-SIGN clustering“
Journal: Org. Biomol. Chem. 2016, 14, 335-344

21. Authors: Sutkeviciute, I.; Thépaut, M.; Sattin, S.; Berzi, A.; McGeagh, J.; Grudinin, S.; Weiser, J.; Le Roy, A.; Reina, J. J. ; Rojo, J.; Clerici, M.; Bernardi, A.; Ebel, C.; Fieschi, F.
Title: „Unique DC-SIGN Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design“
Journal: ACS Chem. Biol. 2014, 9, 1377–1385

20. Authors: Varga, N; Sutkeviciute, I.; Guzzi, C.; McGeagh, J.; Petit-Haertlein, I.; Gugliotta, S.; Weiser, J.; Angulo, J.; Fieschi, F.; Bernardi, A.
Title: „Selective Targeting of Dendritic Cell-Specific Intercellular Adhesion Molecule-3-Grabbing Nonintegrin (DC-SIGN) with Mannose-Based Glycomimetics: Synthesis and Interaction Studies of Bis(benzylamide) Derivatives of a Pseudomannobioside“
Journal: Chem. Eur. J. 2013, 19, 4786 – 4797

19. Authors: Andreini, M.; Doknic, D.; Sutkeviciute, I.; Reina, J.J.; Duan, J.; Chabrol, E.; Thepaut, M.; Moroni, E.; Doro, F.; Belvisi, L.; Weiser, J.; Rojo, J.; Fieschi, F.; Bernardi, A.
Title: „Second generation of fucose-based DC-SIGN ligands: affinity improvement and specificity versus Langerin“
Journal: Org. Biomol. Chem. 2011, 9, 5778-5786

18. Authors: Mueller, C.; Gomez-Zurita, M. A.; Ballinari, D.; Colombo, S.; Bitto, A.; Martegani, E.; Airoldi, C.; van Neuren, A. S.; Stein, M.; Weiser, J.; Battistini, C.; Peri, F.
Title: „Design, Synthesis and Biological Evaluation of Levoglucosenone-Derived Ras Activation Inhibitors“
Journal: ChemMedChem 2009, 4, 524-528

17. Authors: Farid, R.; Rao, S.; Day, T.; Beard, H.; Shelley, M.; Weiser J.
Title: „Flexible Induced Fit Docking of Ligands to Enzyme Active Sites“
Book: EuroQSAR 2004 Proceedings, 288-290.

16. Authors: Hayes, J.M.; Stein, M.; Weiser J.
Title: „Accurate Calculations of Ligand Binding Free Energies. Chiral Separation with Enantioselective Receptors“
Journal: J. Phys. Chem. A 2004, 108, 3572-3580.

15. Authors: Fitjer, L.; Gerke, R.; Weiser, J.; Bunkoczi, G.; Debreczeni, J.E.
Title: „Helical Primary Structures of Four-Membered Rings: (M)-Trispiro [] tridecane“
Journal: Tetrahedron 2003, 59, 4443-4449

14. Authors: Greenidge, P.A.; Merette, S.A.; Beck, R.; Dodson, G.; Goodwin, C.A.; Scully, M.F.; Spencer, J.; Weiser, J.; Deadman, J.J.
Title: „Generation of Ligand Conformations in continuum Solvent Consistent with Protein Active Site Topology: Application to Thrombin“
Journal: J. Med. Chem., 2003, 46, 1293-1305

13. Authors: Guvench, O.; Weiser, J.; Shenkin, P.S.; Kolossváry, I.; Still, W.C.
Title: „Application of the Frozen Atom Approximation to the GB/SA Continuum Model for Solvation Free Energy“
Journal: J. Comput. Chem., 2002, 23, 214-221.

12. Authors: Greenidge, P.A. and Weiser, J.
Title: „A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR: Application to a Set of 4-aminopyridine Thrombin Inhibitors“
Journal: Mini Rev. Med. Chem. 2001, 1, 79-87

11. Authors: Weiser, J.; Shenkin, P.S.; Still, W.C.
Title: „Approximate Solvent-Accessible Surface Areas from Tetrahedrally Directed Neighbor Densities“
Journal: Biopolymers 1999, 50, 373-380

10. Authors: Weiser, J.; Shenkin, P.S.; Still, W.C.
Title: „Optimization of Gaussian Surface Calculations and Extension to Solvent-Accessible Surface Areas“
Journal: J Comput Chem 1999, 20, 688-703.

9. Authors: Weiser, J.; Shenkin, P.S.; Still, W.C.
Title: „Fast, Approximate Algorithm for Detection of Solvent-Inaccessible Atoms“
Journal: J Comput Chem 1999, 20, 586-596.

8. Authors: Weiser, J.; Shenkin, P.S.; Still, W.C.
Title: „Approximate Atomic Surfaces from Linear Combinations of Pairwise Overlaps (LCPO)“
Journal: J Comput Chem 1999, 20, 217-230.

7. Authors: Weiser, J.; Weiser, A.A.; Shenkin, P.S.; Still, W.C.
Title: „Neighbor-List Reduction: Optimization for Computation of Molecular van der Waals and Solvent-Accessible Surface Areas“
Journal: J Comput Chem 1998, 19, 797-808.

6. Authors: Fitjer, L.; Steeneck, C.; Gaini-Rahimi, S.; Schröder, U.; Justus, K.; Puder, P.; Dittmer, M.; Haßler, C.; Weiser, J.; Noltemeyer, M.; Teichert, M.
Title: „A New Rotane Family: Synthesis, Structure, Conformation, and Dynamics of [3.4]-, [4.4]-, [5.4]-, and [6.4] Rotane“
Journal: J Am Chem Soc 1998, 120, 317-328.

5. Authors: Weiser, J.; Holthausen, M.C.; Fitjer, L.
Title: „HUNTER. QCPE program 674“
Journal: QCPE Bulletin 1997, 17, 29.

4. Authors: Weiser, J.; Holthausen, M.C.; Fitjer, L.
Title: „HUNTER: A Conformational Search Program for Acyclic to Polycyclic Molecules with Special Emphasis on Stereochemistry“
Journal: J Comput Chem 1997, 18, 1264-1281.

3. Authors: Strobl, D.; Weiser, J.; Fitjer, L.
Title: „MM3 Parameters for Carbocations“
Journal: Tetrahedron 1997, 53, 2767-2774.

2. Authors: Weiser, J.; Golan, O.; Fitjer, L.; Biali, S.E.
Title: „Chair/Twist-Boat Energy Gap in Monocyclic, Conformationally Unconstrained Polyalkylcyclohexanes“
Journal: J Org Chem 1996, 61, 8277-8284.

1. Authors: Fitjer, L.; Malich, A.; Paschke, C.; Kluge, S.; Gerke, R.; Rissom, B.; Weiser, J.; Noltemeyer, M.
Title: „Rearrangement of (-)-ß-Caryophyllene. A Product Analysis and Force Field Study“
Journal: J Am Chem Soc 1995, 117, 9180-9189.