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Original Articles

Molecular Mechanics Calculations of Proteins. Comparison of Different Energy Minimization Strategies

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Pages 473-488 | Received 07 May 1997, Published online: 21 May 2012

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Simonetta Oliaro-Bosso, Silvia Taramino, Franca Viola, Silvia Tagliapietra, Giuseppe Ermondi, Giancarlo Cravotto & Gianni Balliano. (2009) Umbelliferone aminoalkyl derivatives as inhibitors of human oxidosqualene-lanosterol cyclase. Journal of Enzyme Inhibition and Medicinal Chemistry 24:2, pages 589-598.
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Articles from other publishers (16)

Hao Lin, Yiwei Shi, Enlong Shang & Shuyang Dai. (2023) An energy minimization strategy based on an improved nonlinear conjugate gradient method for accelerating the charged polymer dynamics simulation. Physical Chemistry Chemical Physics 25:17, pages 12290-12307.
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Tomislav Gregorić, Janja Makarević, Zoran Štefanić, Mladen Žinić & Leo Frkanec. (2022) Gamma Radiation- and Ultraviolet-Induced Polymerization of Bis(amino acid)fumaramide Gel Assemblies. Polymers 14:1, pages 214.
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Antonio Romo-Mancillas, Alfredo Téllez-Valencia, Lilián Yépez-Mulia, Francisco Hernández-Luis, Alicia Hernández-Campos & Rafael Castillo. (2011) The design and inhibitory profile of new benzimidazole derivatives against triosephosphate isomerase from Trypanosoma cruzi: A problem of residue motility. Journal of Molecular Graphics and Modelling 30, pages 90-99.
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Mauro Botta, Stefano Avedano, Giovanni Battista Giovenzana, Alberto Lombardi, Dario Longo, Claudio Cassino, Lorenzo Tei & Silvio Aime. (2011) Relaxometric Study of a Series of Monoaqua Gd III Complexes of Rigidified EGTA‐Like Chelators and Their Noncovalent Interaction with Human Serum Albumin . European Journal of Inorganic Chemistry 2011:6, pages 802-810.
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Ibtisam E. Tothill. 2010. Recognition Receptors in Biosensors. Recognition Receptors in Biosensors 249 274 .
Giuseppe Ermondi, Giulia Caron, Raelene Lawrence & Dario Longo. (2005) Docking studies on NSAID/COX-2 isozyme complexes using Contact Statistics analysis. Journal of Computer-Aided Molecular Design 18:11, pages 683-696.
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Giuseppe Ermondi, Miriam Lorenti & Giulia Caron. (2004) Contribution of Ionization and Lipophilicity to Drug Binding to Albumin:  A Preliminary Step toward Biodistribution Prediction. Journal of Medicinal Chemistry 47:16, pages 3949-3961.
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Zhiling Zhang, Jian-Ping Jin & Douglas D. Root. (2004) Binding of Calcium Ions to an Avian Flight Muscle Troponin T. Biochemistry 43:9, pages 2645-2655.
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Matthías Thórólfsson, Knut Teigen & Aurora Martínez. (2003) Activation of Phenylalanine Hydroxylase:  Effect of Substitutions at Arg68 and Cys237. Biochemistry 42:12, pages 3419-3428.
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Alessandra Basso, Paolo Braiuca, Sergio Clementi, Cynthia Ebert, Lucia Gardossi & Paolo Linda. (2002) Computational analysis of the aminic subsite of PGA explains the influence of amine structure on enantioselectivity. Journal of Molecular Catalysis B: Enzymatic 19-20, pages 423-430.
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Alessandra Basso, Paolo Braiuca, Cynthia Ebert, Lucia Gardossi, Paolo Linda & Fabio Benedetti. (2002) GRID/tetrahedral intermediate computational approach to the study of selectivity of penicillin G acylase in amide bond synthesis. Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics 1601:1, pages 85-92.
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Bent N. Terp, David N. Cooper, Inge T. Christensen, Flemming S. Jørgensen, Peter Bross, Niels Gregersen & Michael Krawczak. (2002) Assessing the relative importance of the biophysical properties of amino acid substitutions associated with human genetic disease. Human Mutation 20:2, pages 98-109.
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Ingebrigt Sylte, Agnieszka Bronowska & Svein G. Dahl. (2001) Ligand induced conformational states of the 5-HT1A receptor. European Journal of Pharmacology 416:1-2, pages 33-41.
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Matthew S. Ward & Rex E. Shepherd. (2000) Comparison of energy-minimized structures of [PdII(mida)] complexes of peptide sequences used in immobilized metal ion affinity chromatography protein separations. Inorganica Chimica Acta 311:1-2, pages 57-68.
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David F.V. Lewis. (2000) On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics. Biochemical Pharmacology 60:3, pages 293-306.
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Thomas Lemcke, Inge Thøger Christensen & Flemming Steen Jørgensen. (1999) Towards an understanding of drug resistance in malaria: Three-dimensional structure of Plasmodium falciparum dihydrofolate reductase by homology building. Bioorganic & Medicinal Chemistry 7:6, pages 1003-1011.
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