✦ LIBER ✦

YETI: An interactive molecular mechanics program for small-molecule protein complexes

✍ Scribed by Angelo Vedani

Publisher: John Wiley and Sons
Year: 1988
Tongue: English
Weight: 1004 KB
Volume: 9
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540090310

No coin nor oath required. For personal study only.

✦ Synopsis

YETI, an interactive molecular mechanics program for drug-design applications on small-molecule protein complexes, is described. To model short-range interactions in better agreement with experimental data, its force-field energy expression includes directional potential functions for H-bonds, salt linkages, and metal ligand interactions. The program works on an internal coordinate concept and uses a conjugate-gradient minimizer. YETI is available for distribution through the author. The program has been used to model details of small-molecule binding to the enzyme human carbonic anhydrase I.

The impact of the directional potential functions on the geometry of H-bonds and metal-ligand interactions is discussed.

📜 SIMILAR VOLUMES

“CHOODRAW”—an interactive molecular grap

“CHOODRAW”—an interactive molecular graphics program (PC/XT/AT) to display small molecules complexed with protein fragments selected from the protein data bank

✍ François-Xavier Bon; Roland van Rapenbusch 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 576 KB

Interactive program for visualization an

Interactive program for visualization and modelling of proteins, nucleic acids and small molecules

✍ H E Dayringer; A Tramontano; S R Sprang; R J Fletterick 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 796 KB

Allosteric Molecular Beacons for Sensiti

Allosteric Molecular Beacons for Sensitive Detection of Nucleic Acids, Proteins, and Small Molecules in Complex Biological Samples

✍ Yanling Song; Liang Cui; Jie Wu; Weiting Zhang; Dr. Wei Yun Zhang; Dr. Huaizhi K 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 661 KB

ChemInform Abstract: An Anchor-Dependent

ChemInform Abstract: An Anchor-Dependent Molecular Docking Process for Docking Small Flexible Molecules into Rigid Protein Receptors.

✍ Thy-Hou Lin; Guan-Liang Lin 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 15 KB

Inside Cover: Allosteric Molecular Beaco

Inside Cover: Allosteric Molecular Beacons for Sensitive Detection of Nucleic Acids, Proteins, and Small Molecules in Complex Biological Samples (Chem. Eur. J. 33/2011)

✍ Yanling Song; Liang Cui; Jie Wu; Weiting Zhang; Dr. Wei Yun Zhang; Dr. Huaizhi K 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 362 KB 👁 1 views

Monoclonal antibody specific to a subcla

Monoclonal antibody specific to a subclass of polyproline-arg motif provides evidence for the presence of an snRNA-free spliceosomal Sm protein complex in vivo: Implications for molecular interactions involving proline-rich sequences of Sm B/B′ proteins

✍ Mohammed Filali; Jianping Qiu; Sita Awasthi; Utz Fischer; Dimitri Monos; Malek K 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 198 KB 👁 2 views

The human spliceosomal Sm B/BЈ proteins are essential for the biogenesis of the snRNP particles. B/BЈ proteins contain several clusters of the PPPPGM/IR sequence, which occurs within the C-terminus of Sm B/BЈ. This sequence is very similar to the PPPPPGHR sequence of the cytoplasmic tail of the CD2