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Academic literature on the topic 'Bias Exchange Metadynamics'
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Journal articles on the topic "Bias Exchange Metadynamics"
Baftizadeh Baghal, Fahimeh, Xevi Biarnes, Fabio Pietrucci, Alessandro Laio, and Fabio Affinito. "Simulation of Amyloid Nucleation with Bias-Exchange Metadynamics." Biophysical Journal 102, no. 3 (2012): 242a. http://dx.doi.org/10.1016/j.bpj.2011.11.1336.
Full textSingh, Richa, Rohit Bansal, Anurag Singh Rathore, and Gaurav Goel. "Equilibrium Ensembles for Insulin Folding from Bias-Exchange Metadynamics." Biophysical Journal 112, no. 8 (2017): 1571–85. http://dx.doi.org/10.1016/j.bpj.2017.03.015.
Full textBulo, Rosa E., Hans Van Schoot, Daniel Rohr, and Carine Michel. "Bias-exchange metadynamics applied to the study of chemical reactivity." International Journal of Quantum Chemistry 110, no. 12 (2010): 2299–307. http://dx.doi.org/10.1002/qua.22554.
Full textBaftizadeh, Fahimeh, Pilar Cossio, Fabio Pietrucci, and Alessandro Laio. "Protein Folding and Ligand-Enzyme Binding from Bias-Exchange Metadynamics Simulations." Current Physical Chemistry 2, no. 1 (2012): 79–91. http://dx.doi.org/10.2174/1877946811202010079.
Full textBaftizadeh, Fahimeh, Pilar Cossio, Fabio Pietrucci, and Alessandro Laio. "Protein Folding and Ligand-Enzyme Binding from Bias-Exchange Metadynamics Simulations." Current Physical Chemistrye 2, no. 1 (2012): 79–91. http://dx.doi.org/10.2174/1877947611202010079.
Full textCao, Zanxia, Yunqiang Bian, Guodong Hu, et al. "Bias-Exchange Metadynamics Simulation of Membrane Permeation of 20 Amino Acids." International Journal of Molecular Sciences 19, no. 3 (2018): 885. http://dx.doi.org/10.3390/ijms19030885.
Full textTodorova, Nevena, Fabrizio Marinelli, Stefano Piana, and Irene Yarovsky. "Exploring the Folding Free Energy Landscape of Insulin Using Bias Exchange Metadynamics." Journal of Physical Chemistry B 113, no. 11 (2009): 3556–64. http://dx.doi.org/10.1021/jp809776v.
Full textFurini, Simone, Paolo Barbini, and Carmen Domene. "Conduction and Selectivity in Na+ Channels Analyzed by Bias-Exchange Metadynamics Simulations." Biophysical Journal 108, no. 2 (2015): 490a. http://dx.doi.org/10.1016/j.bpj.2014.11.2682.
Full textMehrabian, Hadi, and Bernhardt L. Trout. "In Silico Engineering of Hydrate Anti-agglomerant Molecules Using Bias-Exchange Metadynamics Simulations." Journal of Physical Chemistry C 124, no. 35 (2020): 18983–92. http://dx.doi.org/10.1021/acs.jpcc.0c03251.
Full textAnsari, Samiul M., Andrea Coletta, Katrine Kirkeby Skeby, Jesper Sørensen, Birgit Schiøtt, and David S. Palmer. "Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations." Journal of Physical Chemistry B 120, no. 40 (2016): 10453–62. http://dx.doi.org/10.1021/acs.jpcb.6b07491.
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