Artículos de revistas sobre el tema "Proteins Molecular Dynamics Computational Biophysics"
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Liang, Zhongjie, Gennady M. Verkhivker y Guang Hu. "Integration of network models and evolutionary analysis into high-throughput modeling of protein dynamics and allosteric regulation: theory, tools and applications". Briefings in Bioinformatics 21, n.º 3 (21 de marzo de 2019): 815–35. http://dx.doi.org/10.1093/bib/bbz029.
Texto completoYeggoni, Daniel Pushparaju, Aparna Rachamallu y Rajagopal Subramanyam. "A comparative binding mechanism between human serum albumin and α-1-acid glycoprotein with corilagin: biophysical and computational approach". RSC Advances 6, n.º 46 (2016): 40225–37. http://dx.doi.org/10.1039/c6ra06837e.
Texto completoBardhan, Jaydeep P. "Gradient models in molecular biophysics: progress, challenges, opportunities". Journal of the Mechanical Behavior of Materials 22, n.º 5-6 (1 de diciembre de 2013): 169–84. http://dx.doi.org/10.1515/jmbm-2013-0024.
Texto completoRen, Pengyu, Jaehun Chun, Dennis G. Thomas, Michael J. Schnieders, Marcelo Marucho, Jiajing Zhang y Nathan A. Baker. "Biomolecular electrostatics and solvation: a computational perspective". Quarterly Reviews of Biophysics 45, n.º 4 (noviembre de 2012): 427–91. http://dx.doi.org/10.1017/s003358351200011x.
Texto completoMolinski, Steven V., Zoltán Bozóky, Surtaj H. Iram y Saumel Ahmadi. "Biophysical Approaches Facilitate Computational Drug Discovery for ATP-Binding Cassette Proteins". International Journal of Medicinal Chemistry 2017 (19 de marzo de 2017): 1–9. http://dx.doi.org/10.1155/2017/1529402.
Texto completoMoffett, Alexander S. y Diwakar Shukla. "Using molecular simulation to explore the nanoscale dynamics of the plant kinome". Biochemical Journal 475, n.º 5 (9 de marzo de 2018): 905–21. http://dx.doi.org/10.1042/bcj20170299.
Texto completoRamos, Javier, Juan Francisco Vega, Victor Cruz, Eduardo Sanchez-Sanchez, Javier Cortes y Javier Martinez-Salazar. "Hydrodynamic and Electrophoretic Properties of Trastuzumab/HER2 Extracellular Domain Complexes as Revealed by Experimental Techniques and Computational Simulations". International Journal of Molecular Sciences 20, n.º 5 (1 de marzo de 2019): 1076. http://dx.doi.org/10.3390/ijms20051076.
Texto completoOldham, William M. y Heidi E. Hamm. "Structural basis of function in heterotrimeric G proteins". Quarterly Reviews of Biophysics 39, n.º 2 (mayo de 2006): 117–66. http://dx.doi.org/10.1017/s0033583506004306.
Texto completoGauthier, Louis, Rémicia Di Franco y Adrian W. R. Serohijos. "SodaPop: a forward simulation suite for the evolutionary dynamics of asexual populations on protein fitness landscapes". Bioinformatics 35, n.º 20 (14 de marzo de 2019): 4053–62. http://dx.doi.org/10.1093/bioinformatics/btz175.
Texto completoTang, Wai Shing, Gabriel Monteiro da Silva, Henry Kirveslahti, Erin Skeens, Bibo Feng, Timothy Sudijono, Kevin K. Yang, Sayan Mukherjee, Brenda Rubenstein y Lorin Crawford. "A topological data analytic approach for discovering biophysical signatures in protein dynamics". PLOS Computational Biology 18, n.º 5 (2 de mayo de 2022): e1010045. http://dx.doi.org/10.1371/journal.pcbi.1010045.
Texto completoArtali, Roberto, Antonio Del Pra, Elisabetta Foresti, Isidoro Giorgio Lesci, Norberto Roveri y Piera Sabatino. "Adsorption of human serum albumin on the chrysotile surface: a molecular dynamics and spectroscopic investigation". Journal of The Royal Society Interface 5, n.º 20 (11 de julio de 2007): 273–83. http://dx.doi.org/10.1098/rsif.2007.1137.
Texto completoMiermans, Christiaan A. y Chase P. Broedersz. "Bacterial chromosome organization by collective dynamics of SMC condensins". Journal of The Royal Society Interface 15, n.º 147 (octubre de 2018): 20180495. http://dx.doi.org/10.1098/rsif.2018.0495.
Texto completoSoundarrajan, Dharsan K., Francisco J. Huizar, Ramezan Paravitorghabeh, Trent Robinett y Jeremiah J. Zartman. "From spikes to intercellular waves: Tuning intercellular calcium signaling dynamics modulates organ size control". PLOS Computational Biology 17, n.º 11 (1 de noviembre de 2021): e1009543. http://dx.doi.org/10.1371/journal.pcbi.1009543.
Texto completoRóg, Tomasz, Mykhailo Girych y Alex Bunker. "Mechanistic Understanding from Molecular Dynamics in Pharmaceutical Research 2: Lipid Membrane in Drug Design". Pharmaceuticals 14, n.º 10 (19 de octubre de 2021): 1062. http://dx.doi.org/10.3390/ph14101062.
Texto completoGubieda, Alicia G., John R. Packer, Iolo Squires, Jack Martin y Josana Rodriguez. "Going with the flow: insights from Caenorhabditis elegans zygote polarization". Philosophical Transactions of the Royal Society B: Biological Sciences 375, n.º 1809 (24 de agosto de 2020): 20190555. http://dx.doi.org/10.1098/rstb.2019.0555.
Texto completoLi, Haiyan, Zanxia Cao, Guodong Hu, Liling Zhao, Chunling Wang y Jihua Wang. "Ligand-induced structural changes analysis of ribose-binding protein as studied by molecular dynamics simulations". Technology and Health Care 29 (25 de marzo de 2021): 103–14. http://dx.doi.org/10.3233/thc-218011.
Texto completoVerkhivker, Gennady. "Structural and Computational Studies of the SARS-CoV-2 Spike Protein Binding Mechanisms with Nanobodies: From Structure and Dynamics to Avidity-Driven Nanobody Engineering". International Journal of Molecular Sciences 23, n.º 6 (8 de marzo de 2022): 2928. http://dx.doi.org/10.3390/ijms23062928.
Texto completoOse, Nicholas J., Brandon M. Butler, Avishek Kumar, I. Can Kazan, Maxwell Sanderford, Sudhir Kumar y S. Banu Ozkan. "Dynamic coupling of residues within proteins as a mechanistic foundation of many enigmatic pathogenic missense variants". PLOS Computational Biology 18, n.º 4 (7 de abril de 2022): e1010006. http://dx.doi.org/10.1371/journal.pcbi.1010006.
Texto completoHossain, Sheikh I., Neha S. Gandhi, Zak E. Hughes y Suvash C. Saha. "Computational Modelling of the Interaction of Gold Nanoparticle with Lung Surfactant Monolayer". MRS Advances 4, n.º 20 (2019): 1177–85. http://dx.doi.org/10.1557/adv.2019.93.
Texto completoKuwahara, Hiroyuki y Russell Schwartz. "Stochastic steady state gain in a gene expression process with mRNA degradation control". Journal of The Royal Society Interface 9, n.º 72 (11 de enero de 2012): 1589–98. http://dx.doi.org/10.1098/rsif.2011.0757.
Texto completoLu, Wei, Carlos Bueno, Nicholas P. Schafer, Joshua Moller, Shikai Jin, Xun Chen, Mingchen Chen et al. "OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations". PLOS Computational Biology 17, n.º 2 (12 de febrero de 2021): e1008308. http://dx.doi.org/10.1371/journal.pcbi.1008308.
Texto completoWan, Shunzhou, Agastya P. Bhati, Stefan J. Zasada y Peter V. Coveney. "Rapid, accurate, precise and reproducible ligand–protein binding free energy prediction". Interface Focus 10, n.º 6 (16 de octubre de 2020): 20200007. http://dx.doi.org/10.1098/rsfs.2020.0007.
Texto completoPaulino, Joana, Myunggi Yi, Ivan Hung, Zhehong Gan, Xiaoling Wang, Eduard Y. Chekmenev, Huan-Xiang Zhou y Timothy A. Cross. "Functional stability of water wire–carbonyl interactions in an ion channel". Proceedings of the National Academy of Sciences 117, n.º 22 (15 de mayo de 2020): 11908–15. http://dx.doi.org/10.1073/pnas.2001083117.
Texto completoWesterlund, Annie M., Akshay Sridhar, Leo Dahl, Alma Andersson, Anna-Yaroslava Bodnar y Lucie Delemotte. "Markov state modelling reveals heterogeneous drug-inhibition mechanism of Calmodulin". PLOS Computational Biology 18, n.º 10 (7 de octubre de 2022): e1010583. http://dx.doi.org/10.1371/journal.pcbi.1010583.
Texto completoWu, Yinghao, Kalyani Dhusia y Zhaoqian Su. "Mechanistic dissection of spatial organization in NF-κB signaling pathways by hybrid simulations". Integrative Biology 13, n.º 5 (24 de abril de 2021): 109–20. http://dx.doi.org/10.1093/intbio/zyab006.
Texto completoHeerwig, Andreas, Alfred Kick, Paul Sommerfeld, Sophia Eimermacher, Frederick Hartung, Markus Laube, Dietmar Fischer et al. "The Impact of Nε-Acryloyllysine Piperazides on the Conformational Dynamics of Transglutaminase 2". International Journal of Molecular Sciences 24, n.º 2 (13 de enero de 2023): 1650. http://dx.doi.org/10.3390/ijms24021650.
Texto completoSilva, Andriele y Shaneen Singh. "Abstract 5029: A computational analysis of NEK10 and its novel protein-protein interaction with HspB1". Cancer Research 82, n.º 12_Supplement (15 de junio de 2022): 5029. http://dx.doi.org/10.1158/1538-7445.am2022-5029.
Texto completoS., Udhaya Kumar, Srivarshini Sankar, Salma Younes, Thirumal Kumar D., Muneera Naseer Ahmad, Sarah Samer Okashah, Balu Kamaraj, Abeer Mohammed Al-Subaie, George Priya Doss C. y Hatem Zayed. "Deciphering the Role of Filamin B Calponin-Homology Domain in Causing the Larsen Syndrome, Boomerang Dysplasia, and Atelosteogenesis Type I Spectrum Disorders via a Computational Approach". Molecules 25, n.º 23 (26 de noviembre de 2020): 5543. http://dx.doi.org/10.3390/molecules25235543.
Texto completoSchaaf, Gabriel, Marek Dynowski, Carl J. Mousley, Sweety D. Shah, Peihua Yuan, Eva M. Winklbauer, Marília K. F. de Campos et al. "Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution". Molecular Biology of the Cell 22, n.º 6 (15 de marzo de 2011): 892–905. http://dx.doi.org/10.1091/mbc.e10-11-0903.
Texto completoElk, Jackson Chief, J. B. Alexander Ross y Stephen R. Sprang. "Molecular Dynamics Investigation on Conformational Dynamics of G Proteins". Biophysical Journal 100, n.º 3 (febrero de 2011): 533a. http://dx.doi.org/10.1016/j.bpj.2010.12.3109.
Texto completoVaidehi, Nagarajan, Gouthaman Balaraman, In-Hee Park, Jeff Wagner y Abhinandan Jain. "Heirarchical Constrained Molecular Dynamics Simulations for Proteins". Biophysical Journal 100, n.º 3 (febrero de 2011): 533a. http://dx.doi.org/10.1016/j.bpj.2010.12.3113.
Texto completoDobson, Christopher M. "Biophysical Techniques in Structural Biology". Annual Review of Biochemistry 88, n.º 1 (20 de junio de 2019): 25–33. http://dx.doi.org/10.1146/annurev-biochem-013118-111947.
Texto completoHaddad, Yazan, Vojtech Adam y Zbynek Heger. "Rotamer Dynamics: Analysis of Rotamers in Molecular Dynamics Simulations of Proteins". Biophysical Journal 116, n.º 11 (junio de 2019): 2062–72. http://dx.doi.org/10.1016/j.bpj.2019.04.017.
Texto completoSeshan, Shiv S. "The rigidization of water dynamics around proteins: A molecular dynamics study". Biophysical Journal 122, n.º 3 (febrero de 2023): 138a. http://dx.doi.org/10.1016/j.bpj.2022.11.909.
Texto completoStacklies, Wolfram y Frauke Graeter. "Force Propagation in Proteins From Molecular Dynamics Simulations". Biophysical Journal 96, n.º 3 (febrero de 2009): 589a. http://dx.doi.org/10.1016/j.bpj.2008.12.3087.
Texto completoToofanny, Rudesh D., Aitziber L. Cortajarena, Lynne Regan y Valerie Daggett. "Molecular Dynamics Simulations of Consensus Tetratricopeptide Repeat Proteins". Biophysical Journal 98, n.º 3 (enero de 2010): 636a—637a. http://dx.doi.org/10.1016/j.bpj.2009.12.3486.
Texto completoTruelsen, Sigurd F. "Accelerated Molecular Dynamics Simulations of Phosphate Binding Proteins". Biophysical Journal 110, n.º 3 (febrero de 2016): 540a. http://dx.doi.org/10.1016/j.bpj.2015.11.2893.
Texto completoKandel, Saugat, Adrien B. Larsen, Abhinandan Jain y Nagarajan Vaidehi. "Gneimosim: Multiscale Internal Coordinates Molecular Dynamics for Proteins". Biophysical Journal 110, n.º 3 (febrero de 2016): 641a. http://dx.doi.org/10.1016/j.bpj.2015.11.3429.
Texto completoHaas-Neill, Liam I. y Sarah Rauscher. "Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins". Biophysical Journal 116, n.º 3 (febrero de 2019): 432a—433a. http://dx.doi.org/10.1016/j.bpj.2018.11.2329.
Texto completoSridhar Dwadasi, Balarama, Hristina R. Zhekova, Sergei Y. Noskov, Dennis R. Salahub y Peter D. Tieleman. "Constant pH molecular dynamics simulations of membrane proteins". Biophysical Journal 122, n.º 3 (febrero de 2023): 424a. http://dx.doi.org/10.1016/j.bpj.2022.11.2297.
Texto completoBelato, Helen B., Carmelissa Norbrun, Jinping Luo, Chinmai Pindi, Souvik Sinha, Alexandra M. D’Ordine, Gerwald Jogl, Giulia Palermo y George P. Lisi. "Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage". Journal of Chemical Physics 157, n.º 22 (14 de diciembre de 2022): 225103. http://dx.doi.org/10.1063/5.0128815.
Texto completoHuang, Jing. "Computational dissection of the structure-dynamics-function relationship of human solute carrier proteins". Biophysical Journal 122, n.º 3 (febrero de 2023): 507a. http://dx.doi.org/10.1016/j.bpj.2022.11.2700.
Texto completoDurrieu, Marie-Pierre, Richard Lavery y Marc Baaden. "Interactions between Neuronal Fusion Proteins Explored by Molecular Dynamics". Biophysical Journal 94, n.º 9 (mayo de 2008): 3436–46. http://dx.doi.org/10.1529/biophysj.107.123117.
Texto completoFogolari, Federico, Alessandro Brigo y Henriette Molinari. "Protocol for MM/PBSA Molecular Dynamics Simulations of Proteins". Biophysical Journal 85, n.º 1 (julio de 2003): 159–66. http://dx.doi.org/10.1016/s0006-3495(03)74462-2.
Texto completoChilders, Matthew Carter y Valerie Daggett. "Insights from molecular dynamics simulations for computational protein design". Molecular Systems Design & Engineering 2, n.º 1 (2017): 9–33. http://dx.doi.org/10.1039/c6me00083e.
Texto completoDutta, Mandira y Gregory A. Voth. "Computational studies of the dynamics of SARS-CoV-2 spike, membrane, and nucleocapsid proteins". Biophysical Journal 121, n.º 3 (febrero de 2022): 455a. http://dx.doi.org/10.1016/j.bpj.2021.11.482.
Texto completoBock, Lars, Brian Hutchings, Helmut Grubmüller y Dixon J. Woodbury. "Chemomechanical Regulation of Snare Proteins Studied with Molecular Dynamics Simulations". Biophysical Journal 98, n.º 3 (enero de 2010): 677a. http://dx.doi.org/10.1016/j.bpj.2009.12.3723.
Texto completoBock, Lars V., Brian Hutchings, Helmut Grubmüller y Dixon J. Woodbury. "Chemomechanical Regulation of SNARE Proteins Studied with Molecular Dynamics Simulations". Biophysical Journal 99, n.º 4 (agosto de 2010): 1221–30. http://dx.doi.org/10.1016/j.bpj.2010.06.019.
Texto completoChen, Wei, Jason A. Wallace, Zhi Yue y Jana K. Shen. "Application of Explicit-Solvent Constant ph Molecular Dynamics to Proteins". Biophysical Journal 104, n.º 2 (enero de 2013): 508a. http://dx.doi.org/10.1016/j.bpj.2012.11.2803.
Texto completoHawkins, Russell y Daniel Cox. "Elastic Moduli of Fibrous Proteins from Equilibrium Molecular Dynamics Simulation". Biophysical Journal 114, n.º 3 (febrero de 2018): 676a. http://dx.doi.org/10.1016/j.bpj.2017.11.3647.
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