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Journal of Chemical Theory and Computation|November 21, 2015
An Overview of Electrostatic Free Energy Computations for Solutions and ProteinsYen-Lin Lin, Alexey Aleksandrov, Thomas Simonson, et al.Plos Computational Biology|August 1, 2014
Hotspot mutations in KIT receptor differentially modulate its allosterically coupled conformational dynamics: impact on activation and drug sensitivityIsaure Chauvot de Beauchêne, Ariane Allain, Nicolas Panel, et al.International Journal of Molecular Sciences|September 9, 2020
Application of Various Molecular Modelling Methods in the Study of Estrogens and XenoestrogensAnna Helena Mazurek, Łukasz Szeleszczuk, Thomas Simonson, et al.Plos One|May 16, 2014
Differential effects of CSF-1R D802V and KIT D816V homologous mutations on receptor tertiary structure and allosteric communicationPriscila Da Silva Figueiredo Celestino Gomes, Nicolas Panel, Elodie Laine, et al.Nucleic Acids Research|May 14, 2016
PSSweb: protein structural statistics web serverThomas Gaillard, Roland H Stote, Annick DejaegereBiochemistry|September 5, 2023
PLP-Dependent Enzyme Methionine γ-Lyase: Insights into the Michaelis Complex from Molecular Dynamics and Free Energy SimulationsXingyu Chen, Nathan Ferchaud, Pierre Briozzo, et al.Journal of Computational Chemistry|December 12, 2007
Computational protein design: software implementation, parameter optimization, and performance of a simple modelMarcel Schmidt Am Busch, Anne Lopes, David Mignon, et al.Proteins|April 8, 2009
Dynamics of beta3 integrin I-like and hybrid domains: insight from simulations on the mechanism of transition between open and closed formsThomas Gaillard, Annick Dejaegere, Roland H StoteProteins|March 10, 2007
Computational sidechain placement and protein mutagenesis with implicit solvent modelsAnne Lopes, Alexey Alexandrov, Christine Bathelt, et al.Journal of Molecular Biology|March 10, 2010
Nonantibiotic properties of tetracyclines: structural basis for inhibition of secretory phospholipase A2Daniela Dalm, Gottfried J Palm, Alexey Aleksandrov, et al.Pageof 16