Literature DB >> 3471099

Free energy simulations.

M Mezei, D L Beveridge.   

Abstract

Mesh：

Year:  1986        PMID： 3471099     DOI： 10.1111/j.1749-6632.1986.tb20933.x

Source DB:  PubMed          Journal:  Ann N Y Acad Sci        ISSN： 0077-8923            Impact factor:   5.691


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  28 in total

1.  Molecular dynamics study of the KcsA potassium channel.

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Journal:  Biophys J       Date:  1999-11       Impact factor: 4.033

2.  Thermodynamic basis of selectivity in guide-target-mismatched RNA interference.

Authors:  Thomas T Joseph; Roman Osman
Journal:  Proteins       Date:  2012-02-10

3.  The transition between the B and Z conformations of DNA investigated by targeted molecular dynamics simulations with explicit solvation.

Authors:  Mika A Kastenholz; Thomas U Schwartz; Philippe H Hünenberger
Journal:  Biophys J       Date:  2006-10-15       Impact factor: 4.033

Review 4.  CHARMM: the biomolecular simulation program.

Authors:  B R Brooks; C L Brooks; A D Mackerell; L Nilsson; R J Petrella; B Roux; Y Won; G Archontis; C Bartels; S Boresch; A Caflisch; L Caves; Q Cui; A R Dinner; M Feig; S Fischer; J Gao; M Hodoscek; W Im; K Kuczera; T Lazaridis; J Ma; V Ovchinnikov; E Paci; R W Pastor; C B Post; J Z Pu; M Schaefer; B Tidor; R M Venable; H L Woodcock; X Wu; W Yang; D M York; M Karplus
Journal:  J Comput Chem       Date:  2009-07-30       Impact factor: 3.376

5.  pH-dependent transient conformational states control optical properties in cyan fluorescent protein.

Authors:  Elena N Laricheva; Garrett B Goh; Alex Dickson; Charles L Brooks
Journal:  J Am Chem Soc       Date:  2015-02-18       Impact factor: 15.419

6.  Association free energy of dipalmitoylphosphatidylserines in a mixed dipalmitoylphosphatidylcholine membrane.

Authors:  Yoel Rodríguez; Mihaly Mezei; Roman Osman
Journal:  Biophys J       Date:  2007-02-02       Impact factor: 4.033

7.  Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics.

Authors:  Feng Wang; Steven J Stuart; Robert A Latour
Journal:  Biointerphases       Date:  2008       Impact factor: 2.456

8.  Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: molecular dynamics studies of HlyB.

Authors:  João M Damas; A Sofia F Oliveira; António M Baptista; Cláudio M Soares
Journal:  Protein Sci       Date:  2011-07       Impact factor: 6.725

9.  Atomic-scale analysis of the solvation thermodynamics of hydrophobic hydration.

Authors:  S R Durell; A Wallqvist
Journal:  Biophys J       Date:  1996-10       Impact factor: 4.033

10.  Computer-aided drug design: a free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase.

Authors:  P L Cummins; J E Gready
Journal:  J Comput Aided Mol Des       Date:  1993-10       Impact factor: 3.686
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