المؤلفون: Luo, Xubo, Seidler, Morgan, Lee, Yen Jea, Yu, Tianyi, Zuckermann, Ronald N, Balsara, Nitash P, Abel, Brooks A, Prendergast, David, Jiang, Xi

المصدر: Macromolecular Rapid Communications. 46(1)

مصطلحات موضوعية: Macromolecular and Materials Chemistry, Chemical Sciences, Bioengineering, cryogenic transmission electron microscopy, image simulation, molecular dynamics simulation, peptoid, single particle analysis, Polymers, Cryoelectron Microscopy, Microscopy, Electron, Transmission, Particle Size, Nanostructures, Molecular Dynamics Simulation, MSD-General, MSD-Soft Matter EM, Engineering, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0kf312br
https://escholarship.org/content/qt0kf312br/qt0kf312br.pdf

المؤلفون: Manville, Rían W, Foglia, Lorenzo, Yoshimura, Ryan F, Hogenkamp, Derk J, Nguyen, Amy, Yu, Alvin, Abbott, Geoffrey W

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 122(2)

مصطلحات موضوعية: Medical Physiology, Biomedical and Clinical Sciences, Neurodegenerative, Brain Disorders, Neurosciences, 2.1 Biological and endogenous factors, 1.1 Normal biological development and functioning, 5.1 Pharmaceuticals, Neurological, Animals, Humans, Mice, Ataxia, Myokymia, Diterpenes, Plant Extracts, Ligands, Kv1.1 Potassium Channel, Molecular Dynamics Simulation, KCNA1, Kv1.1, episodic ataxia, potassium channel, voltage gating

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8h87h2wp
https://escholarship.org/content/qt8h87h2wp/qt8h87h2wp.pdf

المؤلفون: Morizono, Marc, McGuire, Kelly, Birouty, Natalie, Herzik, Mark

المصدر: Nature Communications. 15(1)

مصطلحات موضوعية: HSP70 Heat-Shock Proteins, Humans, Cryoelectron Microscopy, Mitochondria, Molecular Dynamics Simulation, Mitochondrial Proteins, Nucleotides, Protein Binding

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/6vj413q7
https://escholarship.org/content/qt6vj413q7/qt6vj413q7.pdf

المؤلفون: Li, Jie, Zhang, Oufan, Sun, Kunyang, Wang, Yingze, Guan, Xingyi, Bagni, Dorian, Haghighatlari, Mojtaba, Kearns, Fiona, Parks, Conor, Amaro, Rommie, Head-Gordon, Teresa

المصدر: Journal of chemical information and computer sciences. 64(24)

مصطلحات موضوعية: Ligands, Drug Design, Molecular Docking Simulation, Artificial Intelligence, Molecular Dynamics Simulation, Data Mining, Algorithms, Proteins, Machine Learning

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/99t2x783
https://escholarship.org/content/qt99t2x783/qt99t2x783.pdf

المؤلفون: Arantes, Pablo, Chen, Xiaoyu, Sinha, Souvik, Saha, Aakash, Patel, Amun, Sample, Matthew, Nierzwicki, Łukasz, Lapinaite, Audrone, Palermo, Giulia

المصدر: Nucleic Acids Research. 52(22)

مصطلحات موضوعية: Gene Editing, CRISPR-Cas Systems, CRISPR-Associated Protein 9, DNA, Protein Multimerization, Humans, Adenosine Deaminase, Protein Domains, Deamination, Molecular Dynamics Simulation, Adenine

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8mx3c60v
https://escholarship.org/content/qt8mx3c60v/qt8mx3c60v.pdf

المؤلفون: Wang, Cong, Kilgore, Henry, Latham, Andrew, Zhang, Bin

المصدر: Journal of Chemical Theory and Computation. 20(22)

مصطلحات موضوعية: Ligands, Small Molecule Libraries, Molecular Dynamics Simulation, Hydrophobic and Hydrophilic Interactions, Binding Sites, Thermodynamics, Protein Binding

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/3988f6d7
https://escholarship.org/content/qt3988f6d7/qt3988f6d7.pdf

المؤلفون: Ojha, Anupam, Votapka, Lane, Amaro, Rommie

المصدر: Journal of Chemical Theory and Computation. 20(22)

مصطلحات موضوعية: Humans, Drug Design, Kinetics, Markov Chains, Molecular Dynamics Simulation

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7066t7dm
https://escholarship.org/content/qt7066t7dm/qt7066t7dm.pdf

المؤلفون: Kearns, Fiona, Rosenfeld, Mia, Amaro, Rommie

المصدر: Journal of chemical information and computer sciences. 64(20)

مصطلحات موضوعية: Molecular Dynamics Simulation, Mucins, Protein Conformation, Glycosylation, Humans, Mucin-5B

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/6fm7c11n
https://escholarship.org/content/qt6fm7c11n/qt6fm7c11n.pdf

المؤلفون: Votapka, Lane, Ojha, Anupam, Asada, Naoya, Amaro, Rommie

المصدر: Journal of Physical Chemistry Letters. 15(42)

مصطلحات موضوعية: Ligands, Kinetics, Molecular Dynamics Simulation, Thermodynamics, Protein Kinase Inhibitors, Protein Binding, Protein Serine-Threonine Kinases

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9mg5p450
https://escholarship.org/content/qt9mg5p450/qt9mg5p450.pdf

المؤلفون: Amith, Weththasinghage, Chen, Vincent, Dutagaci, Bercem

المصدر: Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry). 128(42)

مصطلحات موضوعية: Phosphorylation, RNA Polymerase II, Molecular Dynamics Simulation, Protein Domains

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/6tw1f3gq
https://escholarship.org/content/qt6tw1f3gq/qt6tw1f3gq.pdf

المؤلفون: Hwang, Wonmuk, Austin, Steven, Blondel, Arnaud, Boittier, Eric, Boresch, Stefan, Buck, Matthias, Buckner, Joshua, Caflisch, Amedeo, Chang, Hao-Ting, Cheng, Xi, Choi, Yeol, Chu, Jhih-Wei, Crowley, Michael, Cui, Qiang, Damjanovic, Ana, Deng, Yuqing, Devereux, Mike, Ding, Xinqiang, Feig, Michael, Gao, Jiali, Glowacki, David, Gonzales, James, Hamaneh, Mehdi, Harder, Edward, Hayes, Ryan, Huang, Jing, Huang, Yandong, Hudson, Phillip, Im, Wonpil, Islam, Shahidul, Jiang, Wei, Jones, Michael, Käser, Silvan, Kearns, Fiona, Kern, Nathan, Klauda, Jeffery, Lazaridis, Themis, Lee, Jinhyuk, Lemkul, Justin, Liu, Xiaorong, Luo, Yun, MacKerell, Alexander, Major, Dan, Meuwly, Markus, Nam, Kwangho, Nilsson, Lennart, Ovchinnikov, Victor, Paci, Emanuele, Park, Soohyung, Pastor, Richard, Pittman, Amanda, Post, Carol, Prasad, Samarjeet, Pu, Jingzhi, Qi, Yifei, Rathinavelan, Thenmalarchelvi, Roe, Daniel, Roux, Benoit, Rowley, Christopher, Shen, Jana, Simmonett, Andrew, Sodt, Alexander, Töpfer, Kai, Upadhyay, Meenu, van der Vaart, Arjan, Vazquez-Salazar, Luis, Venable, Richard, Warrensford, Luke, Woodcock, H, Wu, Yujin, Brooks, Charles, Brooks, Bernard, Karplus, Martin

المصدر: Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry). 128(41)

مصطلحات موضوعية: Quantum Theory, Molecular Dynamics Simulation, Software

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/80g749rt
https://escholarship.org/content/qt80g749rt/qt80g749rt.pdf

المؤلفون: Woltz, Ryan L, Zheng, Yang, Choi, Woori, Ngo, Khoa, Trinh, Pauline, Ren, Lu, Thai, Phung N, Harris, Brandon J, Han, Yanxiao, Rouen, Kyle C, Mateos, Diego Lopez, Jian, Zhong, Chen-Izu, Ye, Dickson, Eamonn J, Yamoah, Ebenezer N, Yarov-Yarovoy, Vladimir, Vorobyov, Igor, Zhang, Xiao-Dong, Chiamvimonvat, Nipavan

المصدر: Proceedings of the National Academy of Sciences of the United States of America. 121(39)

مصطلحات موضوعية: Medical Physiology, Biomedical and Clinical Sciences, Cardiovascular, 1.1 Normal biological development and functioning, 5.1 Pharmaceuticals, Phosphatidylinositol 4, 5-Diphosphate, Small-Conductance Calcium-Activated Potassium Channels, Molecular Dynamics Simulation, Animals, Calmodulin, Humans, Ion Channel Gating, Calcium, Protein Binding, Myocytes, Cardiac, small conductance Ca2+- activated K plus channel, phosphatidylinositol 4, 5-bisphosphate, optogenetics, calmodulin, atrial arrhythmias, phosphatidylinositol 4, 5-bisphosphate, small conductance Ca2+-activated K+ channel

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7bn9v5d5
https://escholarship.org/content/qt7bn9v5d5/qt7bn9v5d5.pdf

المؤلفون: Diessner, Elizabeth, Takahashi, Gemma, Butts, Carter, Martin, Rachel

المصدر: Biophysical Journal. 123(18)

مصطلحات موضوعية: Prolyl Oligopeptidases, Temperature, Serine Endopeptidases, Enzyme Stability, Molecular Dynamics Simulation, Adaptation, Physiological, Extremophiles

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/18z2t66d
https://escholarship.org/content/qt18z2t66d/qt18z2t66d.pdf

المؤلفون: Guan, Wenyan, Stark, Lauren E, Zhang, Ning, Bains, Arjan, Martinez, Airam, Dupureur, Cynthia M, Colvin, Michael E, LiWang, Patricia J

المصدر: Biochemistry. 63(18)

مصطلحات موضوعية: Biochemistry and Cell Biology, Biological Sciences, Infectious Diseases, 5.1 Pharmaceuticals, Chemokine CCL17, Humans, Viral Proteins, Protein Binding, Molecular Dynamics Simulation, Amino Acid Sequence, Chemokines, CC, Mutation, Medicinal and Biomolecular Chemistry, Medical Biochemistry and Metabolomics, Biochemistry & Molecular Biology, Biochemistry and cell biology, Medical biochemistry and metabolomics, Medicinal and biomolecular chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/6g62p6wx
https://escholarship.org/content/qt6g62p6wx/qt6g62p6wx.pdf

المؤلفون: Nuqui, Xandra, Casalino, Lorenzo, Zhou, Ling, Shehata, Mohamed, Wang, Albert, Tse, Alexandra, Ojha, Anupam, Kearns, Fiona, Rosenfeld, Mia, Miller, Emily, Acreman, Cory, Ahn, Shirley, Chandran, Kartik, McLellan, Jason, Amaro, Rommie

المصدر: Nature Communications. 15(1)

مصطلحات موضوعية: Spike Glycoprotein, Coronavirus, SARS-CoV-2, Humans, COVID-19 Vaccines, Molecular Dynamics Simulation, COVID-19, Cryoelectron Microscopy, Protein Stability, Antibodies, Neutralizing, Antibodies, Viral, Animals

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9pf1s806
https://escholarship.org/content/qt9pf1s806/qt9pf1s806.pdf

المؤلفون: Montes, Andre, Barroso, Anahi, Wang, Wei, OConnell, Grace, Tepole, Adrian, Mofrad, Mohammad

المصدر: Biophysical Journal. 123(16)

مصطلحات موضوعية: Cell Adhesion, Integrin alpha5beta1, Fibronectins, Molecular Dynamics Simulation, Mechanotransduction, Cellular, Binding Sites, Humans, Protein Binding, Oligopeptides

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2835g3c4
https://escholarship.org/content/qt2835g3c4/qt2835g3c4.pdf

المؤلفون: Lincoff, James, Helsell, Cole, Marcoline, Frank, Natale, Andrew, Grabe, Michael

مصطلحات موضوعية: M2 channel, elasticity theory, influenza, membrane curvature, molecular biophysics, negative Gaussian curvature, simulation, structural biology, viruses, Viral Matrix Proteins, Molecular Dynamics Simulation, Cell Membrane, Influenza A virus, Lipid Bilayers, Protein Conformation, Viroporin Proteins

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0z12j2dd
https://escholarship.org/content/qt0z12j2dd/qt0z12j2dd.pdf

المؤلفون: Painter, Chelsea D, Sankaranarayanan, Nehru Viji, Nagarajan, Balaji, Clausen, Thomas Mandel, West, Alan MV, Setiawan, Nicollette J, Park, Jeeyoung, Porell, Ryan N, Bartels, Phillip L, Sandoval, Daniel R, Vasquez, Gabriel J, Chute, John P, Godula, Kamil, Vander Kooi, Craig W, Gordts, Philip LSM, Corbett, Kevin D, Termini, Christina M, Desai, Umesh R, Esko, Jeffrey D

المصدر: ACS Chemical Biology. 19(8)

مصطلحات موضوعية: Biochemistry and Cell Biology, Biological Sciences, Neuropilin-1, Animals, Heparitin Sulfate, Mice, Melanoma, Experimental, Protein Binding, Binding Sites, Mice, Inbred C57BL, Heparin, Molecular Dynamics Simulation, Mutation, Chemical Sciences, Organic Chemistry, Biological sciences, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7zm0x62m
https://escholarship.org/content/qt7zm0x62m/qt7zm0x62m.pdf

المؤلفون: Hahn, David, Gapsys, Vytautas, de Groot, Bert, Mobley, David, Tresadern, Gary

المصدر: Journal of chemical information and computer sciences. 64(13)

مصطلحات موضوعية: Ligands, Proteins, Molecular Dynamics Simulation, Protein Binding, Thermodynamics, Drug Discovery, Protein Conformation

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7qj1676p
https://escholarship.org/content/qt7qj1676p/qt7qj1676p.pdf

المؤلفون: Kunkel, Grace, Zhou, Qingyang, Treacy, Joseph, Montgomery, Hayden, Salas-Ambrosio, Pedro, Ready, Austin, Spokoyny, Alexander, Houk, Kendall, Maynard, Heather

المصدر: Bioconjugate Chemistry. 35(6)

مصطلحات موضوعية: Polyethylene Glycols, Muramidase, Molecular Dynamics Simulation, Bacteriophage T4

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9kv903n7
https://escholarship.org/content/qt9kv903n7/qt9kv903n7.pdf