AmberTools
David A. CaseDepartment of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesHasan Metin AktulgaDepartment of Computer Science and Engineering, Michigan State University, East Lansing 48824-1322, Michigan, United StatesKellon BelfonFOG Pharmaceuticals Inc., Cambridge 02140, Massachusetts, United StatesDavid S. CeruttiPsivant, 451 D Street, Suite 205, Boston 02210, Massachusetts, United StatesG. Andrés CisnerosDepartment of Physics, Department of Chemistry and Biochemistry, University of Texas at Dallas, Richardson 75801, Texas, United StatesVinícius Wilian D. CruzeiroDepartment of Chemistry and The PULSE Institute, Stanford University, Stanford 94305, California, United StatesNegin ForouzeshDepartment of Computer Science, California State University, Los Angeles 90032, California, United StatesTimothy J. GieseLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesAndreas W. GötzSan Diego Supercomputer Center, University of California San Diego, La Jolla 92093-0505, California, United StatesHolger GohlkeInstitute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, Düsseldorf 40225, GermanySaeed IzadiKoushik KasavajhalaLaufer Center for Physical and Quantitative Biology, Department of Chemistry, Stony Brook University, Stony Brook 11794, New York, United StatesMehmet Cagri KaymakDepartment of Computer Science and Engineering, Michigan State University, East Lansing 48824-1322, Michigan, United StatesEdward J. KingDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesTom KurtzmanDepartment of Chemistry, Lehman College, 250 Bedford Park Blvd West, Bronx 10468, New York, United StatesTai‐Sung LeeLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesPengfei LiDepartment of Chemistry and Biochemistry, Loyola University Chicago, Chicago 60660, Illinois, United StatesJian LiuBeijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, ChinaTyler LuchkoDepartment of Physics and Astronomy, California State University, Northridge, Northridge 91330, California, United StatesRay LuoDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesMadushanka ManathungaDepartment of Chemistry and Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing 48824-1322, Michigan, United StatesMatías MachadoInstitut Pasteur de Montevideo, Montevideo 11400, UruguayHai NguyenDepartment of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesKurt A. O’HearnDepartment of Computer Science and Engineering, Michigan State University, East Lansing 48824-1322, Michigan, United StatesAlexey V. OnufrievDepartments of Computer Science and Physics, Virginia Tech, Blacksburg 24061, Virginia, United StatesFeng PanDepartment of Statistics, Florida State University, Tallahassee 32304, Florida, United StatesSergio PantanoInstitut Pasteur de Montevideo, Montevideo 11400, UruguayRuxi QiCryo-EM Center, Southern University of Science and Technology, Shenzhen 518055, ChinaAli RahnamounDepartment of Computer Science and Engineering, Michigan State University, East Lansing 48824-1322, Michigan, United StatesAli RishehDepartment of Computer Science, California State University, Los Angeles 90032, California, United StatesStephan Schott‐VerdugoInstitute of Bio- and Geosciences (IBG-4: Bioinformatics), Forschungszentrum Jülich GmbH, Jülich 52425, GermanyAkhil ShajanDepartment of Chemistry and Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing 48824-1322, Michigan, United StatesJason SwailsJunmei WangDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh 15261, Pennsylvania, United StatesHaixin WeiDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesXiongwu WuYongxian WuDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesShi ZhangLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesShiji ZhaoDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesQiang ZhuDepartments of Molecular Biology and Biochemistry, Chemical and Biomolecular Engineering, Materials Science and Engineering, and Biomedical Engineering, Graduate Program in Chemical and Materials Physics, University of California, Irvine 92697, California, United StatesThomas E. CheathamDepartment of Medicinal Chemistry, The University of Utah, 30 South 2000 East, Salt Lake City 84112, Utah, United StatesDaniel R. RoeLaboratory of Computational Biology, National Heart, Lung, and Blood Institute, National Institutes of Health, Bethesda 20892, Maryland, United StatesAdrián E. RoitbergDepartment of Chemistry, The University of Florida, 440 Leigh Hall, Gainesville 32611-7200, Florida, United StatesCarlos SimmerlingLaufer Center for Physical and Quantitative Biology, Department of Chemistry, Stony Brook University, Stony Brook 11794, New York, United StatesDarrin M. YorkLaboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway 08854, New Jersey, United StatesMaria C. NaganDepartment of Chemistry, Stony Brook University, Stony Brook 11794, New York, United StatesKenneth M. MerzDepartment of Chemistry and Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing 48824-1322, Michigan, United States
2023en
ABI
Аннотация
AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note.
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Идентификаторы
Цитирования и источники
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