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  • Book
    edited by Riccardo Baron.
    Contents:
    A molecular dynamics ensemble-based approach for the mapping of druggable binding sites / Anthony Ivetac and J. Andrew McCammon
    Analysis of protein binding sites by computational solvent mapping / David R. Hall, Dima Kozakov, and Sandor Vajda
    Evolutionary trace for prediction and redesign of protein functional sites / Angela Wilkins [and others]
    Information entropic functions for molecular descriptor profiling / Anne Mai Wassermann [and others]
    Expanding the conformational selection paradigm in protein-ligand docking / Guray Kuzu [and others]
    Flexibility analysis of biomacromolecules with application to computer-aided drug design / Simone Fulle and Holger Gohlke
    On the use of molecular dynamics receptor conformations for virtual screening / Sara E. Nichols, Riccardo Baron, and J. Andrew McCammon
    Virtual ligand screening against comparative protein structure models / Hao Fan, John J. Irwin, and Andrej Sali
    AMMOS software : method and application / Tania Pencheva [and others]
    Rosetta ligand docking with flexible XML protocols / Gordon Lemmon and Jens Meiler
    Normal mode-based approaches in receptor ensemble docking / Claudio N. Cavasotto
    Application of conformational clustering in protein-ligand docking / Giovanni Bottegoni, Walter Rocchia, and Andrea Cavalli
    How to benchmark methods for structure-based virtual screening of large compound libraries / Andrew J. Christofferson and Niu Huang
    AGGRESCAN : method, application, and perspectives for drug design / Natalia S. de Groot [and others]
    ATTRACT and PTOOLS : open source programs for protein-protein docking Sebastian Schneider [and others]
    Prediction of interacting protein residues using sequence and structure data / Vedran Franke, Mile Šikić, and Kristian Vlahoviček
    MM-GB/SA rescoring of docking poses / Cristiano R.W. Guimarães
    A case study of scoring and rescoring in peptide docking / Zunnan Huang and Chung F. Wong
    The solvated interaction energy method for scoring binding affinities / Traian Sulea and Enrico O. Purisima
    Linear interaction energy : method and applications in drug design / Hugo Guitiérrez-de-Terán and Johan Åqvist
    Estimation of conformational entropy in protein-ligand interactions : a computational perspective / Anton A. Polyansky, Ruben Zubac, and Bojan Zagrovic
    Explicit treatment of water molecules in data-driven protein-protein docking : the solvated HADDOCKing approach / Panagiotis L. Kastritis, Aalt D.J. van Dijk, and Alexandre M.J.J. Bonvin
    Protein-water interactions in MD simulations : POPS/POPSCOMP solvent accessibility analysis, solvation forces and hydration sites / Arianna Fornili [and others]
    Computing the thermodynamic contributions of interfacial water / Zheng Li and Themis Lazaridis
    Assignment of protonation states in proteins and ligands : combining pKa prediction with hydrogen bonding network optimization / Elmar Krieger [and others]
    Best practices in free energy calculations for drug design / Michael R. Shirts
    Independent-trajectory thermodynamic integration : a practical guide to protein-drug binding free energy calculations using distributed computing / Morgan Lawrenz [and others]
    Free energy calculations from one-step perturbations / Chris Oostenbrink
    Using metadynamics and path collective variables to study ligand binding and induced conformational transitions / Neva Bešker and Francesco L. Gervasio
    Accelerated molecular dynamics in computational drug design / Jeff Wereszczynski and J. Andrew McCammon
    Molecular dynamics applied in drug discovery : the case of HIV-1 protease / Yi Shang and Carlos Simmerling
    Decomposing the energetic impact of drug-resistant mutations : the example of HIV-1 protease-DRV binding / Yufeng Cai and Celia Schiffer
    Guide to virtual screening : application to the Akt phosphatase PHLPP / William Sinko [and others]
    Molecular-level simulation of pandemic influenza glycoproteins / Rommie E. Amaro and Wilfred W. Li
    Homology modeling of cannabinoid receptors : discovery of cannabinoid analogues for therapeutic use / Chia-en A. Chang [and others]
    High-throughput virtual screening lead to discovery of non-peptidic inhibitors of West Nile virus NS3 protease / Danzhi Huang.
    Digital Access Springer 2012
  • Book
    Edward Duensing.
    Print 1982
  • Article
    Christy NE, Sommer A.
    Ann Ophthalmol. 1979 Aug;11(8):1261-5.
    Nonconcurrent analysis of 45,954 cataract operations performed by a single surgeon indicates that periocular injection of penicillin combined with multiple preoperative applications of topical chloramphenicol-sulphadimidine reduced the incidence of postoperative endophthalmitis by 72%. Periocular penicillin alone was ineffective. A concurrent masked randomized study of 6,618 cataract operations confirms the efficacy of combined prophylaxis and demonstrates that the topical regimen, by itself, is as ineffective as isolated penicillin prophylaxis.
    Digital Access Access Options