Lauren Wickstrom, Emilio Gallicchio, Lieyang Chen, Tom Kurtzman, Nanjie Deng.Proteins: Structure, Function, and Bioinformatics 2022, Total Free Energy Analysis of Fully Hydrated Proteins. Jas Kalayan, Arghya Chakravorty, Jim Warwicker, Richard H.Frontiers in Molecular Biosciences 2022, 9 A dynamical view of protein-protein complexes: Studies by molecular dynamics simulations. Journal of Chemical Theory and Computation 2012, 8 Balanced and Bias-Corrected Computation of Conformational Entropy Differences for Molecular Trajectories. Journal of Chemical Information and Modeling 2012, 52 Develop and Test a Solvent Accessible Surface Area-Based Model in Conformational Entropy Calculations. ![]() A Molecular Simulation Based Assessment of Binding of Metal Ions on Micelles. Sourav Mondal, Sudipto Ghosh, and Sirshendu De.The Journal of Physical Chemistry B 2012, 116 Non-Gaussian Statistics and Nanosecond Dynamics of Electrostatic Fluctuations Affecting Optical Transitions in Proteins. ![]() Journal of Chemical Theory and Computation 2013, 9 Calculation of Molecular Entropies Using Temperature Integration. The Journal of Physical Chemistry B 2014, 118 Correlation as a Determinant of Configurational Entropy in Supramolecular and Protein Systems. Killian, Vladimir Hnizdo, Adam Fedorowicz, Dan S. Replica-Exchange Molecular Dynamics Simulations of Cellulose Solvated in Water and in the Ionic Liquid 1-Butyl-3-Methylimidazolium Chloride. Barmak Mostofian, Xiaolin Cheng, and Jeremy C.The Journal of Physical Chemistry Letters 2014, 5 Resolving Internal Motional Correlations to Complete the Conformational Entropy Meter. Iztok Urbančič, Ajasja Ljubetič, and Janez Štrancar.Journal of Chemical Theory and Computation 2016, 12 Computational Methods for Configurational Entropy Using Internal and Cartesian Coordinates. Simon Hikiri, Takashi Yoshidome, and Mitsunori Ikeguchi.Journal of Chemical Theory and Computation 2017, 13 rRNA C-Loops: Mechanical Properties of a Recurrent Structural Motif. Tomáš Dršata, Kamila Réblová, Ivana Beššeová, Jiří Šponer, and Filip Lankaš.The Journal of Physical Chemistry B 2018, 122 An NMR Confirmation for Increased Folded State Entropy Following Loop Truncation. Yulian Gavrilov, Shlomi Dagan, Ziv Reich, Tali Scherf, Yaakov Levy.Journal of Chemical Information and Modeling 2019, 59 ![]() How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM2?.
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |