Search Result "Geometry restraints"


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Towards Consistency in Geometry Restraints for Carbohydrates inthe Pyranose form: Modern Dictionary Generators Reviewed

Journal: Current Medicinal Chemistry
Volume: 29 Issue: 7 Year: 2022 Page: 1193-1207
Author(s): Robbie P. Joosten,Robert A. Nicholls,Jon Agirre

Lobeline Docking on AChBP and Nicotinic Receptors: Discriminating Importance of the Pocket Geometry and of the Ligand Configuration

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 1 Year: 2012 Page: 54-62
Author(s): Claire Colas, Xavier Brotel, Nathalie Duclert-Savatier, Michael Nilges, Delphine Joseph, Therese E. Malliavin

Recent Advances in Atomic Resolution Protein Crystallography

Journal: Protein & Peptide Letters
Volume: 9 Issue: 2 Year: 2002 Page: 95-105
Author(s): Luciana Esposito, Luigi Vitagliano, Lelio Mazzarella

Quantitative Analysis of Biomolecular NMR Spectra: A Prerequisite for the Determination of the Structure and Dynamics of Biomolecules

Journal: Current Organic Chemistry
Volume: 10 Issue: 5 Year: 2006 Page: 555-568
Author(s): Therese E. Malliavin

Computational Studies on Two Supramolecular Structures: Cyclodextrins and Rotaxanes

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 731-743
Author(s): Carlos Jaime, Miguel de Federico

Free Energy Perturbation Calculations on Glucosidase-Inhibitor Complexes

Journal: Medicinal Chemistry
Volume: 1 Issue: 5 Year: 2005 Page: 455-460
Author(s): F. M. Ruiz, J. R. Grigera

Recent Research on Computer-Aided Fixture Planning

Journal: Recent Patents on Mechanical Engineering
Volume: 2 Issue: 1 Year: 2009 Page: 8-18
Author(s): Xiumei Kang, Qingjin Peng

Bridging the Gap Between Structural Bioinformatics and Receptor Research: The Membrane-embedded, Ligand-gated, P2X Glycoprotein Receptor

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2004 Page: 1657-1705
Author(s): Peter P. Mager, Anje Weber, Peter Illes

Introduction of an Artificial Cu Binding Site at the Surface of CA II: Pitfalls of Rational Design Finally Scooped by Serendipity

Journal: Current Chemical Biology
Volume: 5 Issue: 1 Year: 2011 Page: 1-8
Author(s): Johannes Schulze Wischeler, Andreas Heine, Gerhard Klebe

Research Article

Design, Synthesis, Crystal Structure, Fluorescence, Molecular Docking and DFT Studies of 3,6-Dinitro-N-octylcarbazole

Journal: Current Organic Chemistry
Volume: 23 Issue: 15 Year: 2019 Page: 1681-1687
Author(s): Hummera Rafique,Aamer Saeed,Fouzia Perveen,Naghmana Kausar,Zaman Ashraf,Sadia Akram,Muhammad Naveed Zafar,Muhammad Tayyab,Ulrich Flörke

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