Free energy via molecular simulation: applications to chemical and biomolecular systems

scientific article

Free energy via molecular simulation: applications to chemical and biomolecular systems is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

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P356DOI10.1146/ANNUREV.BB.18.060189.002243
P698PubMed publication ID2660832

P2093author name stringD L Beveridge
F M DiCapua
P304page(s)431-492
P577publication date1989-01-01
P1433published inAnnual Review of Biophysics and Biophysical ChemistryQ27709451
P1476titleFree energy via molecular simulation: applications to chemical and biomolecular systems
P478volume18

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cites work (P2860)
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Q43275587Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length
Q42593384Relative stability of the open and closed conformations of the active site loop of streptavidin
Q35921955Restoring allosterism with compensatory mutations in hemoglobin
Q34184435Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy
Q88314365Roles of conserved tryptophans in trimerization of HIV-1 membrane-proximal external regions: Implications for virucidal design via alchemical free-energy molecular simulations
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Q58005579Simulating the Physiological Phase of Hydrated DPPC Bilayers: The Ester Moiety
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Q40143952Simulation of electron-proton coupling with a Monte Carlo method: application to cytochrome c3 using continuum electrostatics.
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Q84510621Solvation free energies of glutamate and its metal complexes: a computer simulation study
Q40594020Solvation parameters for predicting the structure of surface loops in proteins: Transferability and entropic effects
Q40113858Solvent influence on base stacking
Q40902451Strategies for indirect computer-aided drug design.
Q34809636Structural and thermodynamic insight into Escherichia coli UvrABC-mediated incision of cluster diacetylaminofluorene adducts on the NarI sequence.
Q58115990Structural consequences of hereditary spastic paraplegia disease-related mutations in kinesin
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