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- W2891656222 endingPage "1477531" @default.
- W2891656222 startingPage "1477531" @default.
- W2891656222 abstract "This review discusses successful strategies and key open problems in the kinetic and thermodynamic characterization of complex biomolecular systems by computer simulations. The main focus is on established techniques and emerging trends in the fields of enhanced sampling and of kinetic models, as applied to biological problems ranging from protein folding and conformational dynamics to protein–protein and protein–ligand interaction. We address especially the following questions: How to choose a computational approach suited to a particular problem? What are the strengths and limitations of alternative approaches? What is the current accuracy of thermodynamic and kinetic predictions? What are today’s open challenges and promising development directions? Towards the aim of accurately reproducing and interpreting experimental results, we briefly discuss hybrid approaches that combine together theoretical and experimental information." @default.
- W2891656222 created "2018-09-27" @default.
- W2891656222 creator A5015296013 @default.
- W2891656222 creator A5044583992 @default.
- W2891656222 date "2018-01-01" @default.
- W2891656222 modified "2023-10-08" @default.
- W2891656222 title "Advanced simulation techniques for the thermodynamic and kinetic characterization of biological systems" @default.
- W2891656222 cites W1030883578 @default.
- W2891656222 cites W1031578623 @default.
- W2891656222 cites W1489582602 @default.
- W2891656222 cites W1575877217 @default.
- W2891656222 cites W1628137094 @default.
- W2891656222 cites W1753746324 @default.
- W2891656222 cites W1873275180 @default.
- W2891656222 cites W1898685528 @default.
- W2891656222 cites W1911670820 @default.
- W2891656222 cites W1913308306 @default.
- W2891656222 cites W1963871440 @default.
- W2891656222 cites W1964758803 @default.
- W2891656222 cites W1965021967 @default.
- W2891656222 cites W1967722756 @default.
- W2891656222 cites W1968771164 @default.
- W2891656222 cites W1970440715 @default.
- W2891656222 cites W1972594892 @default.
- W2891656222 cites W1974225312 @default.
- W2891656222 cites W1976821598 @default.
- W2891656222 cites W1977838033 @default.
- W2891656222 cites W1977875643 @default.
- W2891656222 cites W1978734485 @default.
- W2891656222 cites W1980782498 @default.
- W2891656222 cites W1982069052 @default.
- W2891656222 cites W1982092510 @default.
- W2891656222 cites W1982582136 @default.
- W2891656222 cites W1983628095 @default.
- W2891656222 cites W1984481443 @default.
- W2891656222 cites W1984658396 @default.
- W2891656222 cites W1985070997 @default.
- W2891656222 cites W1986986500 @default.
- W2891656222 cites W1987048011 @default.
- W2891656222 cites W1990593157 @default.
- W2891656222 cites W1991329443 @default.
- W2891656222 cites W1993177346 @default.
- W2891656222 cites W1993741478 @default.
- W2891656222 cites W1994012733 @default.
- W2891656222 cites W1995907662 @default.
- W2891656222 cites W1997362265 @default.
- W2891656222 cites W1997532786 @default.
- W2891656222 cites W1998404217 @default.
- W2891656222 cites W1999522888 @default.
- W2891656222 cites W2001357862 @default.
- W2891656222 cites W2001845099 @default.
- W2891656222 cites W2003240840 @default.
- W2891656222 cites W2008758209 @default.
- W2891656222 cites W2011189520 @default.
- W2891656222 cites W2011510351 @default.
- W2891656222 cites W2012510807 @default.
- W2891656222 cites W2013880394 @default.
- W2891656222 cites W2015943928 @default.
- W2891656222 cites W2017234341 @default.
- W2891656222 cites W2019843663 @default.
- W2891656222 cites W2020879467 @default.
- W2891656222 cites W2022707120 @default.
- W2891656222 cites W2022951267 @default.
- W2891656222 cites W2024762727 @default.
- W2891656222 cites W2025688597 @default.
- W2891656222 cites W2025899185 @default.
- W2891656222 cites W2028130802 @default.
- W2891656222 cites W2028469025 @default.
- W2891656222 cites W2028512732 @default.
- W2891656222 cites W2028619856 @default.
- W2891656222 cites W2028875836 @default.
- W2891656222 cites W2029186981 @default.
- W2891656222 cites W2030384127 @default.
- W2891656222 cites W2030859627 @default.
- W2891656222 cites W2032558547 @default.
- W2891656222 cites W2033477384 @default.
- W2891656222 cites W2037159954 @default.
- W2891656222 cites W2040535441 @default.
- W2891656222 cites W2040809566 @default.
- W2891656222 cites W2041694664 @default.
- W2891656222 cites W2041894087 @default.
- W2891656222 cites W2042443692 @default.
- W2891656222 cites W2046286471 @default.
- W2891656222 cites W2046385005 @default.
- W2891656222 cites W2049431070 @default.
- W2891656222 cites W2050774715 @default.
- W2891656222 cites W2051039246 @default.
- W2891656222 cites W2051629080 @default.
- W2891656222 cites W2051918101 @default.
- W2891656222 cites W2052194343 @default.
- W2891656222 cites W2052735470 @default.
- W2891656222 cites W2052737579 @default.
- W2891656222 cites W2053450287 @default.
- W2891656222 cites W2054661457 @default.
- W2891656222 cites W2057274108 @default.
- W2891656222 cites W2057806291 @default.
- W2891656222 cites W2058971275 @default.
- W2891656222 cites W2060066652 @default.