Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides

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Calculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1063/1.1835911
P8608Fatcat IDrelease_ocxqigcxgvhd7luwwbe7tm4r7m
P698PubMed publication ID15740349
P5875ResearchGate publication ID7994274

P2093author name stringHagai Meirovitch
Srinath Cheluvaraja
P2860cites workFree energy via molecular simulation: applications to chemical and biomolecular systemsQ38648060
Lower and upper bounds for the absolute free energy by the hypothetical scanning Monte Carlo method: application to liquid argon and water.Q40456761
Computer simulation of the free energy of peptides with the local states method: analogues of gonadotropin releasing hormone in the random coil and stable statesQ40685170
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic MoleculesQ55918670
Equation of State Calculations by Fast Computing MachinesQ5384234
Dynamics of folded proteinsQ28287584
Studies in Molecular Dynamics. I. General MethodQ29040056
Free energy based populations of interconverting microstates of a cyclic peptide lead to the experimental NMR dataQ30579093
A simulation method for calculating the absolute entropy and free energy of fluids: application to liquid argon and waterQ35316024
Simulation method for calculating the entropy and free energy of peptides and proteinsQ35316252
P433issue5
P407language of work or nameEnglishQ1860
P304page(s)54903
P577publication date2005-02-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleCalculation of the entropy and free energy by the hypothetical scanning Monte Carlo method: application to peptides
P478volume122

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cites work (P2860)
Q51768084A robust approach to calculate entropy change based on density functional theory in the energy representation.
Q39980398Absolute free energy and entropy of a mobile loop of the enzyme acetylcholinesterase
Q28385662Absolute free energy of binding of avidin/biotin, revisited
Q28396455Calculation of the Absolute Free Energy of Binding and Related Entropies with the HSMD-TI Method: The FKBP12-L8 Complex
Q42590321Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories
Q42587806Calculation of the entropy and free energy from monte carlo simulations of a peptide stretched by an external force
Q40306265Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method
Q41868273Calculation of the entropy of random coil polymers with the hypothetical scanning Monte Carlo method
Q42180577Entropy and Free Energy of a Mobile Loop Based on the Crystal Structures of the Free and Bound Proteins
Q42140475Entropy and free energy of a mobile protein loop in explicit water
Q41497542Free volume hypothetical scanning molecular dynamics method for the absolute free energy of liquids
Q41749807Knowledge-based entropies improve the identification of native protein structures.
Q39958434Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics
Q37276103Methods for calculating the entropy and free energy and their application to problems involving protein flexibility and ligand binding
Q41812957Minimalist explicit solvation models for surface loops in proteins
Q42593384Relative stability of the open and closed conformations of the active site loop of streptavidin
Q45393755The F130L mutation in streptavidin reduces its binding affinity to biotin through electronic polarization effect.
Q36955733The origin of the cooperativity in the streptavidin-biotin system: A computational investigation through molecular dynamics simulations

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