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161 results on '"PETRELLA, R. J."'

3. It Is the Time to Think About a Treat-to-Target Strategy for Knee Osteoarthritis

Author

Migliore, A., Gigliucci, G., Petrella, R. J., Bannuru, R. R., Chevalier, X., Maheu, E., Raman, R., Herrero-Beaumont, G., Isailovic, N., Matucci Cerinc, M., UAM. Departamento de Medicina, and Instituto de Investigación Sanitaria Fundación Jiménez Díaz (IIS-FJD)

Subjects
osteoarthritis, Therapeutics and Clinical Risk Management, Medicina, Osteoarthritis, Knee osteoarthritis, Treat to target, Therapeutics. Pharmacology, RM1-950, Expert Opinion, treat to target, knee osteoarthritis
Abstract

A Migliore,1 G Gigliucci,1 RJ Petrella,2 RR Bannuru,3 X Chevalier,4 E Maheu,5 R Raman,6 G Herrero-Beaumont,7 N Isailovic,8 M Matucci Cerinc9 1Rheumatology Unit, San Pietro Fatebenefratelli Hospital, Rome, Italy; 2Department of Family Medicine, School of Kinesiology Western University, Western Centre for Public Health & Family, London, Ontario, Canada; 3Center for Treatment Comparison and Integrative Analysis Division of Rheumatology, Tufts Medical Center, Boston, MA, USA; 4Department of Rheumatology, Hôpital Henri Mondor, Creteil, France; 5Rheumatology Department, AP-HP, Saint-Antoine Hospital, Paris, France; 6Academic Department of Orthopaedics, Hull and East Yorkshire NHS Trust, Castle Hill Hospital, Cottingham, UK; 7Joint and Bone Research Unit, IIS-Fundacion Jimenez Diaz UAM, Madrid, Spain; 8Division of Rheumatology and Clinical Immunology, Humanitas Research Hospital, Rozzano, Milan, Italy; 9Division of Rheumatology AOUC, Department of Experimental and Clinical Medicine, University of Florence, Florence, ItalyCorrespondence: N IsailovicDivision of Rheumatology and Clinical Immunology, Humanitas Research Hospital, Via A. Manzoni 56, Rozzano 20089, Milan, ItalyTel +39-02-8224-5118Email natasa.isailovic@humanitasresearch.itAbstract: Osteoarthritis (OA) is a rheumatic disease that affects the well-being of the patient, compromises physical and mental function, and affects other quality of life aspects. In the literature, several evidence-based guidelines and recommendations for the management of knee osteoarthritis (KOA) are available. These recommendations list the different therapeutic options rather than addressing a hierarchy between the treatments and defining the real target. Therefore, a question arises: are patients and physicians satisfied with the current management of KOA? Actually, the answer may be negative, thus suggesting a change in our therapeutic strategies. In this article, we address this challenge by suggesting that it is time to develop a “treat to target strategy” for KOA.Keywords: osteoarthritis, knee osteoarthritis, treat to target

Published
2019

25. CHARMM: the biomolecular simulation program

Author

Brooks, B. R., Brooks III, C. L., Mackerell Jr., A. D., Nilsson, L., Petrella, R. J., Roux, B., Won, Y., Archontis, Georgios Z., Bartels, C., Boresch, S., Caflisch, A., Caves, L., Cui, Q., Dinner, A. R., Feig, M., Fischer, S., Gao, J., Hodoscek, M., Im, W., Kuczera, K., Lazaridis, T., Ma, J., Ovchinnikov, V., Paci, E., Pastor, R. W., Post, C. B., Pu, J. Z., Schaefer, M., Tidor, B., Venable, R. M., Woodcock, H. L., Wu, X., Yang, W., York, D. M., Karplus, M., Brooks B.R., Brooks III C.L., Mackerell Jr. A.D., Nilsson L., Petrella R.J., Roux B., Won Y., Archontis G., Bartels C., Boresch S., Caflisch A., Caves L., Cui Q., Dinner A.R., Feig M., Fischer S., Gao J., Hodoscek M., Im W., Kuczera K., Lazaridis T., Ma J., Ovchinnikov V., Paci E., Pastor R.W., Post C.B., Pu J.Z., Schaefer M., Tidor B., Venable R.M., Woodcock H.L., Wu X., Yang W., York D.M., Karplus M., Archontis, Georgios Z. [0000-0002-7750-8641], and University of Zurich

Subjects
Models, Molecular, Potential energy functions, Molecular dynamic, Molecular model, chemical model, Energy functions, Molecular dynamics, Molecular mechanicals, Computational chemistry, Nucleic Acids, computer program, CHARMM program, Many-particle systems, Amines, Explicit solvents, Chemistry, biology, Small molecules, article, Potential energy, Lipids, peptide, Dynamics, Nucleic acids, Computational Mathematics, Molecular mechanic, symbols, Membrane models, Molecular simulations, Harvard, Biomolecular simulation, 2605 Computational Mathematics, Biophysical computation, Carbohydrates, Molecular modeling, 1600 General Chemistry, chemistry, Article, Computational science, symbols.namesake, Parallel architectures, lipid, Simulators, 10019 Department of Biochemistry, computer simulation, Computer Simulation, Molecular mechanics, Analysis techniques, Computational tools, Energy function, Computational Biology, Proteins, Quantum mechanical, General Chemistry, Mechanical force, quantum theory, nucleic acid, Implicit solvents, Models, Chemical, Path sampling method, carbohydrate, chemical structure, Quantum Theory, 570 Life sciences, Drude particle, protein, Peptides, Software
Abstract

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates and small molecule ligands, as they occur in solution, crystals, and membrane environments. For the study of such systems, the program provides a large suite of computational tools that include numerous conformational and path sampling methods, free energy estimators, molecular minimization, dynamics, and analysis techniques, and model-building capabilities. In addition, the CHARMM program is applicable to problems involving a much broader class of many-particle systems. Calculations with CHARMM can be performed using a number of different energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potential energy functions with explicit solvent and various boundary conditions, to implicit solvent and membrane models. The program has been ported to numerous platforms in both serial and parallel architectures. This paper provides an overview of the program as it exists today with an emphasis on developments since the publication of the original CHARMM paper in 1983.

Published
2009
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28. CHARMM: The biomolecular simulation program

Author

Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109 ; Department of Biophysics, University of Michigan, Ann Arbor, Michigan 48109 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Biosciences and Nutrition, Karolinska Institutet, SE-141 57, Huddinge, Sweden ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 ; Department of Medicine, Harvard Medical School, Boston, Massachusetts 02115 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Biochemistry and Molecular Biology, University of Chicago, Gordon Center for Integrative Science, Chicago, Illinois 60637 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry, Hanyang University, Seoul 133-792, Korea ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 ; Laboratoire de Chimie Biophysique, ISIS, Universit?? de Strasbourg, 67000 Strasbourg, France ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Brooks, B. R., Brooks, C. L., Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B., Won, Y., Archontis, G., Bartels, C., Boresch, S., Caflisch, A., Caves, L., Cui, Q., Dinner, A. R., Feig, M., Fischer, S., Gao, J., Hodoscek, M., Im, W., Kuczera, K., Lazaridis, T., Ma, J., Ovchinnikov, V., Paci, E., Pastor, R. W., Post, C. B., Pu, J. Z., Schaefer, M., Tidor, B., Venable, R. M., Woodcock, H. L., Wu, X., Yang, W., York, D. M., Karplus, M., Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109 ; Department of Biophysics, University of Michigan, Ann Arbor, Michigan 48109 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Biosciences and Nutrition, Karolinska Institutet, SE-141 57, Huddinge, Sweden ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 ; Department of Medicine, Harvard Medical School, Boston, Massachusetts 02115 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Biochemistry and Molecular Biology, University of Chicago, Gordon Center for Integrative Science, Chicago, Illinois 60637 ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry, Hanyang University, Seoul 133-792, Korea ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 ; Laboratoire de Chimie Biophysique, ISIS, Universit?? de Strasbourg, 67000 Strasbourg, France ; Laboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda, Maryland 20892, Brooks, B. R., Brooks, C. L., Mackerell, A. D., Nilsson, L., Petrella, R. J., Roux, B., Won, Y., Archontis, G., Bartels, C., Boresch, S., Caflisch, A., Caves, L., Cui, Q., Dinner, A. R., Feig, M., Fischer, S., Gao, J., Hodoscek, M., Im, W., Kuczera, K., Lazaridis, T., Ma, J., Ovchinnikov, V., Paci, E., Pastor, R. W., Post, C. B., Pu, J. Z., Schaefer, M., Tidor, B., Venable, R. M., Woodcock, H. L., Wu, X., Yang, W., York, D. M., and Karplus, M.

Abstract

CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. It has been developed over the last three decades with a primary focus on molecules of biological interest, including proteins, peptides, lipids, nucleic acids, carbohydrates, and small molecule ligands, as they occur in solution, crystals, and membrane environments. For the study of such systems, the program provides a large suite of computational tools that include numerous conformational and path sampling methods, free energy estimators, molecular minimization, dynamics, and analysis techniques, and model-building capabilities. The CHARMM program is applicable to problems involving a much broader class of many-particle systems. Calculations with CHARMM can be performed using a number of different energy functions and models, from mixed quantum mechanical-molecular mechanical force fields, to all-atom classical potential energy functions with explicit solvent and various boundary conditions, to implicit solvent and membrane models. The program has been ported to numerous platforms in both serial and parallel architectures. This article provides an overview of the program as it exists today with an emphasis on developments since the publication of the original CHARMM article in 1983. ?? 2009 Wiley Periodicals, Inc.J Comput Chem, 2009.

Published
2009

32. CHARMM: The biomolecular simulation program

Author

Brooks, B. R., primary, Brooks, C. L., additional, Mackerell, A. D., additional, Nilsson, L., additional, Petrella, R. J., additional, Roux, B., additional, Won, Y., additional, Archontis, G., additional, Bartels, C., additional, Boresch, S., additional, Caflisch, A., additional, Caves, L., additional, Cui, Q., additional, Dinner, A. R., additional, Feig, M., additional, Fischer, S., additional, Gao, J., additional, Hodoscek, M., additional, Im, W., additional, Kuczera, K., additional, Lazaridis, T., additional, Ma, J., additional, Ovchinnikov, V., additional, Paci, E., additional, Pastor, R. W., additional, Post, C. B., additional, Pu, J. Z., additional, Schaefer, M., additional, Tidor, B., additional, Venable, R. M., additional, Woodcock, H. L., additional, Wu, X., additional, Yang, W., additional, York, D. M., additional, and Karplus, M., additional

Published
2009
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33. The discrepancy between recommendations and clinical practice for viscosupplementation in osteoarthritis: mind the gap!

Author

MIGLIORE, A., BIZZI, E., HERRERO-BEAUMONT, J., PETRELLA, R. J., RAMAN, R., and CHEVALIER, X.

Abstract

Recently AAOS, ACR and OARSI revised their recommendations for the management of knee osteoarthritis (OA) and for hand, knee and hip joints. During ISIAT (International Symposium on Intra-Articular Treatments) 2013 round table on recommendations about the use of intra-articular Hyaluronic Acid (IAHA) in OA, several considerations were elaborated by the ISIAT Technical Expert Panel (TEP) regarding discrepancy between recommendations and clinical practice. The ISIAT TEP gathered the following eight suggestions regarding the drawing of recommendations on the use of IAHA in OA and its comparison with other treatments. It is necessary to merge data coming from both RCTs and registers. Only studies with a strong level of evidence should be taken into account. A common threshold of efficacy should be assessed for comparing treatments. Evaluation of hard outcomes is essential. The effect size of placebo as comparator should be attentively considered in RCTs. Particular attention should be given to different phenotypes of OA that may possibly respond differently to each treatment. Compliance and long-term side effects of different therapeutic approaches should be evaluated. Pharmacoeconomic evaluation should be performed on the long term. [ABSTRACT FROM AUTHOR]

Published
2015

37. STEP PROJECT

Author

Lattanzio, C N., primary, Petrella, R J., additional, and Hartford, K, additional

Published
2001
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