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1دورية أكاديمية
المؤلفون: Boothroyd, Simon, Behara, Pavan Kumar, Madin, Owen C, Hahn, David F, Jang, Hyesu, Gapsys, Vytautas, Wagner, Jeffrey R, Horton, Joshua T, Dotson, David L, Thompson, Matthew W, Maat, Jessica, Gokey, Trevor, Wang, Lee-Ping, Cole, Daniel J, Gilson, Michael K, Chodera, John D, Bayly, Christopher I, Shirts, Michael R, Mobley, David L
المصدر: Journal of Chemical Theory and Computation. 19(11)
مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Theoretical and Computational Chemistry, Benchmarking, Ligands, Proteins, Thermodynamics, Entropy, Biochemistry and Cell Biology, Computer Software, Chemical Physics, Physical chemistry, Theoretical and computational chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/35b7v1pzTest
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2دورية أكاديمية
المؤلفون: Breznik, Marko, Ge, Yunhui, Bluck, Joseph P, Briem, Hans, Hahn, David F, Christ, Clara D, Mortier, Jérémie, Mobley, David L, Meier, Katharina
المصدر: ChemMedChem. 18(1)
مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Networking and Information Technology R&D (NITRD), Proteins, Molecular Docking Simulation, Protein Binding, Thermodynamics, Algorithms, Ligands, Molecular Dynamics Simulation, docking, FEP, MMGBSA, drug design, molecular modelling, Organic Chemistry, Pharmacology and Pharmaceutical Sciences, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Organic chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/0388z2h8Test
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3دورية أكاديمية
المؤلفون: D’Amore, Lorenzo, Hahn, David F, Dotson, David L, Horton, Joshua T, Anwar, Jamshed, Craig, Ian, Fox, Thomas, Gobbi, Alberto, Lakkaraju, Sirish Kaushik, Lucas, Xavier, Meier, Katharina, Mobley, David L, Narayanan, Arjun, Schindler, Christina EM, Swope, William C, Veld, Pieter J in ’t, Wagner, Jeffrey, Xue, Bai, Tresadern, Gary
المصدر: Journal of Chemical Information and Modeling. 62(23)
مصطلحات موضوعية: Medicinal and Biomolecular Chemistry, Chemical Sciences, Generic health relevance, Thermodynamics, Ligands, Proteins, Physical Phenomena, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/1b0484cnTest
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4دورية أكاديمية
المؤلفون: Gapsys, Vytautas, Hahn, David F, Tresadern, Gary, Mobley, David L, Rampp, Markus, de Groot, Bert L
المصدر: Journal of Chemical Information and Modeling. 62(5)
مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), Development of treatments and therapeutic interventions, 5.1 Pharmaceuticals, Generic health relevance, Affordable and Clean Energy, Drug Design, Ligands, Molecular Dynamics Simulation, Protein Binding, Software, Thermodynamics, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/07s7t7ghTest
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5دورية أكاديمية
المؤلفون: Hahn, David F, Bayly, Christopher I, Boby, Melissa L, Bruce Macdonald, Hannah E, Chodera, John D, Gapsys, Vytautas, Mey, Antonia SJS, Mobley, David L, Benito, Laura Perez, Schindler, Christina EM, Tresadern, Gary, Warren, Gregory L
المصدر: Living Journal of Computational Molecular Science. 4(1)
مصطلحات موضوعية: Information and Computing Sciences, Medicinal and Biomolecular Chemistry, Chemical Sciences, Substance Misuse, Drug Abuse (NIDA only), Bioengineering, Generic health relevance
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/4c39t457Test
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6تقرير
المؤلفون: Hahn, David F., Bayly, Christopher I., Macdonald, Hannah E. Bruce, Chodera, John D., Gapsys, Vytautas, Mey, Antonia S. J. S., Mobley, David L., Benito, Laura Perez, Schindler, Christina E. M., Tresadern, Gary, Warren, Gregory L.
مصطلحات موضوعية: Quantitative Biology - Biomolecules, Physics - Biological Physics, Physics - Chemical Physics
الوصول الحر: http://arxiv.org/abs/2105.06222Test
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7دورية أكاديمية
المؤلفون: Qiu, Yudong, Smith, Daniel GA, Boothroyd, Simon, Jang, Hyesu, Hahn, David F, Wagner, Jeffrey, Bannan, Caitlin C, Gokey, Trevor, Lim, Victoria T, Stern, Chaya D, Rizzi, Andrea, Tjanaka, Bryon, Tresadern, Gary, Lucas, Xavier, Shirts, Michael R, Gilson, Michael K, Chodera, John D, Bayly, Christopher I, Mobley, David L, Wang, Lee-Ping
المصدر: Journal of Chemical Theory and Computation. 17(10)
مصطلحات موضوعية: Benchmarking, Ecosystem, Humans, Ligands, Molecular Conformation, Petroselinum, Theoretical and Computational Chemistry, Biochemistry and Cell Biology, Computer Software, Chemical Physics
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/46t0b6ztTest
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8دورية أكاديمية
المؤلفون: Ge, Yunhui, Hahn, David F, Mobley, David L
المصدر: Journal of Chemical Information and Modeling. 61(3)
مصطلحات موضوعية: Affordable and Clean Energy, Benchmarking, Static Electricity, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, Computation Theory and Mathematics, Medicinal & Biomolecular Chemistry
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/2xm5w177Test
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9دورية أكاديمية
المؤلفون: Mey, Antonia SJS, Allen, Bryce K, Macdonald, Hannah E Bruce, Chodera, John D, Hahn, David F, Kuhn, Maximilian, Michel, Julien, Mobley, David L, Naden, Levi N, Prasad, Samarjeet, Rizzi, Andrea, Scheen, Jenke, Shirts, Michael R, Tresadern, Gary, Xu, Huafeng
المصدر: Living journal of computational molecular science. 2(1)
مصطلحات موضوعية: Patient Safety, Affordable and Clean Energy
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/87m6x1swTest
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10دورية أكاديمية
مصطلحات موضوعية: Ligands, Molecular Structure, Thermodynamics, Molecular Dynamics Simulation, OPLS, OpenFF, force field, molecular dynamics, molecular mechanics, molecular modeling, quantum mechanics, Biochemistry and Cell Biology, Clinical Sciences, Oncology and Carcinogenesis
وصف الملف: application/pdf
الوصول الحر: https://escholarship.org/uc/item/3047p18nTest