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Showing 1 to 2 of 2 for “"NAMFIS"”.
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Toward accurate free energy calculations in biomolecular simulation: advances in Markov model reweighting and expanded ensemble method
… with experimental trends and outperforming prior NAMFIS estimates, demonstrating robustness for experiment-guided simulation refinement. Chapter 3 introduces a hybrid 1/t-modified Wang-Landau (WL) algorithm designed to mitigate error saturation in expanded-ensemble methods. We test this algorithm …
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Synthesis of Taxol™ Analogs as Conformational Probes
Taxol™, isolated from the bark of Taxus brevifolia in the late 1960s, and the semisynthetic analog Taxotere™ have proven clinical importance for the treatment of ovarian and breast cancer. Taxol™ exerts its biological effect by binding to polymerized tubulin and stabilizing the resulting …