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1دورية أكاديمية
المؤلفون: Amezcua, Martin, Setiadi, Jeffry, Ge, Yunhui, Mobley, David L
المصدر: Journal of Computer-Aided Molecular Design. 36(10)
مصطلحات موضوعية: Macromolecular and Materials Chemistry, Organic Chemistry, Chemical Sciences, Bioengineering, Humans, Ligands, Thermodynamics, Protein Binding, Molecular Dynamics Simulation, Proteins, Retrospective Studies, Pharmaceutical Preparations, Host-guest binding, Free energy, Binding affinity, SAMPL, Blind challenge, Octaacid, Cucurbituril, Host–guest binding, Medicinal and Biomolecular Chemistry, Theoretical and Computational Chemistry, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry
وصف الملف: application/pdf
URL الوصول: https://escholarship.org/uc/item/6tg9962k
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2دورية أكاديمية
المؤلفون: Xiaohui Wang, Mao Wang, Zhaoxi Sun
المصدر: Liquids, Vol 3, Iss 4, Pp 426-439 (2023)
مصطلحات موضوعية: pillar[n]arenes, host–guest binding, QM/GBSA, implicit solvent, three-trajectory realization, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3دورية أكاديمية
المؤلفون: Amezcua, Martin, El Khoury, Léa, Mobley, David L
المصدر: Journal of Computer-Aided Molecular Design. 35(1)
مصطلحات موضوعية: Macromolecular and Materials Chemistry, Medicinal and Biomolecular Chemistry, Organic Chemistry, Chemical Sciences, Bioengineering, Computer-Aided Design, Entropy, Humans, Ligands, Macrocyclic Compounds, Molecular Dynamics Simulation, Molecular Structure, Protein Binding, Proteins, Thermodynamics, Host–, guest binding, Free energy, Binding affinity, SAMPL, Blind challenge, OctaAcid, Cyclodextrin, Cucurbituril, Host–guest binding, Theoretical and Computational Chemistry, Medicinal & Biomolecular Chemistry, Medicinal and biomolecular chemistry, Theoretical and computational chemistry
وصف الملف: application/pdf
URL الوصول: https://escholarship.org/uc/item/16x557zg
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4دورية أكاديمية
المؤلفون: Liu, XiaoAff1, IDs1082202200487w_cor1, Zheng, Lei, Cong, Yalong, Gong, ZhihaoAff4, Aff5, Yin, Zhixiang, Zhang, John Z. H.Aff2, Aff3, Aff6, Aff7, IDs1082202200487w_cor6, Liu, Zhirong, Sun, ZhaoxiAff8, IDs1082202200487w_cor8
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 36(12):879-894
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5دورية أكاديمية
المؤلفون: Liu, XiaoAff1, IDs10822022004750_cor1, Zheng, Lei, Qin, Chu, Zhang, John Z. H.Aff2, Aff3, Aff4, Aff5, Sun, ZhaoxiAff6, IDs10822022004750_cor5
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 36(10):735-752
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6دورية أكاديمية
المؤلفون: Hudson, Phillip S.Aff1, IDs10822022004438_cor1, Aviat, Félix, Meana-Pañeda, Rubén, Warrensford, Luke, Pollard, Benjamin C., Prasad, Samarjeet, Jones, Michael R., Woodcock, H. Lee, Brooks, Bernard R.
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 36(4):263-277
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7دورية أكاديمية
لا يتم عرض هذه النتيجة على الضيوف.
تسجيل الدخول للوصول الكامل. -
8دورية أكاديمية
المؤلفون: Ali, Hafiz SaqibAff1, Aff2, Chakravorty, Arghya, Kalayan, JasAff1, Aff2, de Visser, Samuel P.Aff1, Aff3, Henchman, Richard H.Aff1, Aff2, Aff5
المصدر: Journal of Computer-Aided Molecular Design: Incorporating Perspectives in Drug Discovery and Design. 35(8):911-921
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9دورية أكاديمية
لا يتم عرض هذه النتيجة على الضيوف.
تسجيل الدخول للوصول الكامل. -
10دورية أكاديمية
المؤلفون: Xiao Liu, Lei Zheng, Chu Qin, Yalong Cong, John Z. H. Zhang, Zhaoxi Sun
المصدر: Molecules, Vol 28, Iss 6, p 2767 (2023)
مصطلحات موضوعية: pillar[n]arenes, host–guest binding, force field, dielectric constant, three-trajectory realization, Organic chemistry, QD241-441
وصف الملف: electronic resource