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Volumn 8, Issue 4, 2012, Pages 1200-1211

Convergence of free energy profile of coumarin in lipid bilayer

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EID: 84859589861     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct2009208     Document Type: Article
Times cited : (91)

References (61)
  • 1
    • 79955746773 scopus 로고    scopus 로고
    • Passive Permeation Across Lipid Bilayers: A Literature Review
    • 1 st ed. Sansom, M. S. P. Biggin, P. C. Royal Society of Chemistry
    • Orsi, M.; Essex, J. W. Passive Permeation Across Lipid Bilayers: a Literature Review. In Molecular Simulations and Biomembranes, 1 st ed.; Sansom, M. S. P., Biggin, P. C., Eds.; Royal Society of Chemistry: 2010; pp 76-90.
    • (2010) In Molecular Simulations and Biomembranes , pp. 76-90
    • Orsi, M.1    Essex, J.W.2
  • 2
    • 66249145748 scopus 로고    scopus 로고
    • Modeling Kinetics of Subcellular Disposition of Chemicals
    • Balaz, S. Modeling Kinetics of Subcellular Disposition of Chemicals Chem. Rev. 2009, 109, 1793-1899
    • (2009) Chem. Rev. , vol.109 , pp. 1793-1899
    • Balaz, S.1
  • 3
    • 0036532431 scopus 로고    scopus 로고
    • Superoxide Organic Chemistry within the Liposomal Bilayer, part II: A Correlation between Location and Chemistry
    • Afri, M.; Gottlieb, H. E.; Frimer, A. A. Superoxide Organic Chemistry within the Liposomal Bilayer, part II: a Correlation between Location and Chemistry Free Radical Biol. Med. 2002, 32, 605-618
    • (2002) Free Radical Biol. Med. , vol.32 , pp. 605-618
    • Afri, M.1    Gottlieb, H.E.2    Frimer, A.A.3
  • 4
    • 33751237947 scopus 로고    scopus 로고
    • Liposomal Drug Transport: A Molecular Perspective from Molecular Dynamics Simulations in Lipid Bilayers
    • Xiang, T.-X.; Anderson, B. D. Liposomal Drug Transport: a Molecular Perspective from Molecular Dynamics Simulations in Lipid Bilayers Adv. Drug Delivery Rev. 2006, 58, 1357-1378
    • (2006) Adv. Drug Delivery Rev. , vol.58 , pp. 1357-1378
    • Xiang, T.-X.1    Anderson, B.D.2
  • 5
    • 80054709526 scopus 로고    scopus 로고
    • Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site
    • Berka, K.; Hendrychová, T.; Anzenbacher, P.; Otyepka, M. Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site J. Phys. Chem. A 2011, 115, 11248-11255
    • (2011) J. Phys. Chem. A , vol.115 , pp. 11248-11255
    • Berka, K.1    Hendrychová, T.2    Anzenbacher, P.3    Otyepka, M.4
  • 9
    • 0026569583 scopus 로고
    • Membrane Topology of the Mammalian P450 Cytochromes
    • Black, S. D. Membrane Topology of the Mammalian P450 Cytochromes FASEB J. 1992, 6, 680-685
    • (1992) FASEB J. , vol.6 , pp. 680-685
    • Black, S.D.1
  • 10
    • 74549143382 scopus 로고    scopus 로고
    • Modulation of UDP-glucuronosyltransferase Activity by Protein-Protein Association
    • Ishii, Y.; Takeda, S.; Yamada, H. Modulation of UDP- glucuronosyltransferase Activity by Protein-Protein Association Drug Metab. Rev. 2010, 42, 145-158
    • (2010) Drug Metab. Rev. , vol.42 , pp. 145-158
    • Ishii, Y.1    Takeda, S.2    Yamada, H.3
  • 11
    • 41149127245 scopus 로고    scopus 로고
    • Vertebrate Membrane Proteins: Structure, Function, and Insights from Biophysical Approaches
    • Wu, N. A. N.; Palczewski, K.; Mu, D. J. Vertebrate Membrane Proteins: Structure, Function, and Insights from Biophysical Approaches Pharmacol. Rev. 2008, 60, 43-78
    • (2008) Pharmacol. Rev. , vol.60 , pp. 43-78
    • Wu, N.A.N.1    Palczewski, K.2    Mu, D.J.3
  • 12
    • 33751158845 scopus 로고
    • Simulation of Water Transport through a Lipid Membrane
    • Marrink, S.-J.; Berendsen, H. J. C. Simulation of Water Transport through a Lipid Membrane J. Phys. Chem. 1994, 98, 4155-4168
    • (1994) J. Phys. Chem. , vol.98 , pp. 4155-4168
    • Marrink, S.-J.1    Berendsen, H.J.C.2
  • 13
    • 83455177932 scopus 로고    scopus 로고
    • Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers
    • Neale, C.; Bennett, W. F. D.; Tieleman, D. P.; Pomès, R. Statistical Convergence of Equilibrium Properties in Simulations of Molecular Solutes Embedded in Lipid Bilayers J. Chem. Theory Comput. 2011, 7, 4175-4188
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 4175-4188
    • Neale, C.1    Bennett, W.F.D.2    Tieleman, D.P.3    Pomès, R.4
  • 14
    • 77955410527 scopus 로고    scopus 로고
    • Permeability of Drugs and Hormones through a Lipid Bilayer: Insights from Dual-Resolution Molecular Dynamics
    • Orsi, M.; Essex, J. W. Permeability of Drugs and Hormones through a Lipid Bilayer: Insights from Dual-Resolution Molecular Dynamics Soft Matter 2010, 6, 3797-3808
    • (2010) Soft Matter , vol.6 , pp. 3797-3808
    • Orsi, M.1    Essex, J.W.2
  • 15
    • 3042813458 scopus 로고    scopus 로고
    • Computer Simulation of Small Molecule Permeation across a Lipid Bilayer: Dependence on Bilayer Properties and Solute Volume, Size, and Cross-Sectional Area
    • Bemporad, D.; Luttmann, C.; Essex, J. W. Computer Simulation of Small Molecule Permeation across a Lipid Bilayer: Dependence on Bilayer Properties and Solute Volume, Size, and Cross-Sectional Area Biophys. J. 2004, 87, 1-13
    • (2004) Biophys. J. , vol.87 , pp. 1-13
    • Bemporad, D.1    Luttmann, C.2    Essex, J.W.3
  • 16
    • 28144454423 scopus 로고    scopus 로고
    • Behaviour of Small Solutes and Large Drugs in a Lipid Bilayer from Computer Simulations
    • Bemporad, D.; Luttmann, C.; Essex, J. W. Behaviour of Small Solutes and Large Drugs in a Lipid Bilayer from Computer Simulations Biochim. Biophys. Acta 2005, 1718, 1-21
    • (2005) Biochim. Biophys. Acta , vol.1718 , pp. 1-21
    • Bemporad, D.1    Luttmann, C.2    Essex, J.W.3
  • 17
    • 69649103938 scopus 로고    scopus 로고
    • Permeability of Small Molecules through a Lipid Bilayer: A Multiscale Simulation Study
    • Orsi, M.; Sanderson, W. E.; Essex, J. W. Permeability of Small Molecules through a Lipid Bilayer: a Multiscale Simulation Study J. Phys. Chem. B 2009, 113, 12019-12029
    • (2009) J. Phys. Chem. B , vol.113 , pp. 12019-12029
    • Orsi, M.1    Sanderson, W.E.2    Essex, J.W.3
  • 18
    • 77249136326 scopus 로고    scopus 로고
    • Partitioning of Nonsteroidal Antiinflammatory Drugs in Lipid Membranes: A Molecular Dynamics Simulation Study
    • Boggara, M. B.; Krishnamoorti, R. Partitioning of Nonsteroidal Antiinflammatory Drugs in Lipid Membranes: a Molecular Dynamics Simulation Study Biophys. J. 2010, 98, 586-595
    • (2010) Biophys. J. , vol.98 , pp. 586-595
    • Boggara, M.B.1    Krishnamoorti, R.2
  • 19
    • 30744448428 scopus 로고    scopus 로고
    • Computer Simulation of the Distribution of Hexane in a Lipid Bilayer: Spatially Resolved Free Energy, Entropy, and Enthalpy Profiles
    • MacCallum, J. L.; Tieleman, D. P. Computer Simulation of the Distribution of Hexane in a Lipid Bilayer: Spatially Resolved Free Energy, Entropy, and Enthalpy Profiles J. Am. Chem. Soc. 2006, 128, 125-130
    • (2006) J. Am. Chem. Soc. , vol.128 , pp. 125-130
    • MacCallum, J.L.1    Tieleman, D.P.2
  • 20
    • 84986519238 scopus 로고
    • The Weighted Histogram Analysis Method for Free Energy Calculations on Biomolecules. I. The Method
    • Kumar, S.; Rosenberg, J.; Bouzida, D.; Swensen, R. H.; Kollman, P. A. The Weighted Histogram Analysis Method for Free Energy Calculations on Biomolecules. I. The Method J. Comput. Chem. 1992, 13, 1011-1021
    • (1992) J. Comput. Chem. , vol.13 , pp. 1011-1021
    • Kumar, S.1    Rosenberg, J.2    Bouzida, D.3    Swensen, R.H.4    Kollman, P.A.5
  • 21
    • 0342929614 scopus 로고    scopus 로고
    • Nonphysical Sampling Distribution in Monte Carlo Free Energy Estimation: Umbrella Sampling
    • Torrie, G. M.; Calleau, J. P. Nonphysical Sampling Distribution in Monte Carlo Free Energy Estimation: Umbrella Sampling J. Comput. Phys. 1997, 23, 187-199
    • (1997) J. Comput. Phys. , vol.23 , pp. 187-199
    • Torrie, G.M.1    Calleau, J.P.2
  • 22
    • 0030264744 scopus 로고    scopus 로고
    • Permeation Process of Small Molecules across Lipid Membranes Studied by Molecular Dynamics Simulations
    • Marrink, S. J.; Berendsen, H. J. C. Permeation Process of Small Molecules across Lipid Membranes Studied by Molecular Dynamics Simulations J. Phys. Chem. 1996, 100, 16729-16738
    • (1996) J. Phys. Chem. , vol.100 , pp. 16729-16738
    • Marrink, S.J.1    Berendsen, H.J.C.2
  • 23
    • 2342505916 scopus 로고    scopus 로고
    • Permeation of Small Molecules through a Lipid Bilayer: A Computer Simulation Study
    • Bemporad, D.; Essex, J. W.; Luttmann, C. Permeation of Small Molecules through a Lipid Bilayer: A Computer Simulation Study J. Phys. Chem. B 2004, 108, 4875-4884
    • (2004) J. Phys. Chem. B , vol.108 , pp. 4875-4884
    • Bemporad, D.1    Essex, J.W.2    Luttmann, C.3
  • 24
    • 79960220436 scopus 로고    scopus 로고
    • Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles
    • Zhang, Y.; Voth, G. A. Combined Metadynamics and Umbrella Sampling Method for the Calculation of Ion Permeation Free Energy Profiles J. Chem. Theory Comput. 2011, 7, 2277-2283
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 2277-2283
    • Zhang, Y.1    Voth, G.A.2
  • 26
    • 67651230078 scopus 로고    scopus 로고
    • Permeation of Membranes by Ribose and Its Diastereomers
    • Wei, C.; Pohorille, A. Permeation of Membranes by Ribose and Its Diastereomers J. Am. Chem. Soc. 2009, 131, 10237-10245
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 10237-10245
    • Wei, C.1    Pohorille, A.2
  • 27
    • 0035935802 scopus 로고    scopus 로고
    • Calculating Free Energies Using Average Force
    • Darve, E.; Pohorille, A. Calculating Free Energies Using Average Force J. Chem. Phys. 2001, 115, 9169
    • (2001) J. Chem. Phys. , vol.115 , pp. 9169
    • Darve, E.1    Pohorille, A.2
  • 28
    • 1242338103 scopus 로고    scopus 로고
    • Conformational Sampling for the Impatient
    • Tai, K. Conformational Sampling for the Impatient Biophys. Chem. 2004, 107, 213-220
    • (2004) Biophys. Chem. , vol.107 , pp. 213-220
    • Tai, K.1
  • 29
    • 0029633155 scopus 로고
    • The Calculation of the Potential of Mean Force Using Computer Simulations
    • Roux, B. The Calculation of the Potential of Mean Force Using Computer Simulations Comput. Phys. Commun. 1995, 91, 275-282
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 275-282
    • Roux, B.1
  • 30
    • 43649094583 scopus 로고    scopus 로고
    • Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations
    • MacCallum, J. L.; Bennett, W. F. D.; Tieleman, D. P. Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations Biophys. J. 2008, 94, 3393-3404
    • (2008) Biophys. J. , vol.94 , pp. 3393-3404
    • MacCallum, J.L.1    Bennett, W.F.D.2    Tieleman, D.P.3
  • 31
    • 33947139278 scopus 로고    scopus 로고
    • Setting up and Running Molecular Dynamics Simulations of Membrane Proteins
    • Kandt, C.; Ash, W. L.; Tieleman, D. P. Setting up and Running Molecular Dynamics Simulations of Membrane Proteins Methods 2007, 41, 475-488
    • (2007) Methods , vol.41 , pp. 475-488
    • Kandt, C.1    Ash, W.L.2    Tieleman, D.P.3
  • 33
    • 79954551480 scopus 로고    scopus 로고
    • Functional Group Dependence of Solute Partitioning to Various Locations within a DOPC Bilayer: A Comparison of Molecular Dynamics Simulations with Experiment
    • Tejwani, R. W.; Davis, M. E.; Anderson, B. D.; Stouch, T. R. Functional Group Dependence of Solute Partitioning to Various Locations within a DOPC Bilayer: A Comparison of Molecular Dynamics Simulations with Experiment J. Pharm. Sci. 2011, 100, 2136-2146
    • (2011) J. Pharm. Sci. , vol.100 , pp. 2136-2146
    • Tejwani, R.W.1    Davis, M.E.2    Anderson, B.D.3    Stouch, T.R.4
  • 36
    • 0034973607 scopus 로고    scopus 로고
    • Cellular and Molecular Life Sciences Cytochromes P450 and Metabolism of Xenobiotics
    • Anzenbacher, P.; Anzenbacherová, E. Cellular and Molecular Life Sciences Cytochromes P450 and Metabolism of Xenobiotics Cell. Mol. Life Sci. 2001, 58, 737-747
    • (2001) Cell. Mol. Life Sci. , vol.58 , pp. 737-747
    • Anzenbacher, P.1    Anzenbacherová, E.2
  • 40
    • 78650680564 scopus 로고    scopus 로고
    • Practical Considerations for Guilding GROMOS-Compatible Small-Molecule Topologies
    • Lemkul, J. A.; Allen, W. J.; Bevan, D. R. Practical Considerations for Guilding GROMOS-Compatible Small-Molecule Topologies J. Chem. Inf. Model. 2010, 50, 2221-2235
    • (2010) J. Chem. Inf. Model. , vol.50 , pp. 2221-2235
    • Lemkul, J.A.1    Allen, W.J.2    Bevan, D.R.3
  • 42
    • 0035974484 scopus 로고    scopus 로고
    • Molecular Mechanical Models for Organic and Biological Systems Going beyond the Atom Centered Two Body Additive Approximation: Aqueous Solution Free Energies of Methanol and N-Methyl Acetamide, Nucleic Acid Base, and Amide Hydrogen Bonding and Chloroform/ Water Partition Coefficients of the Nucleic Acid Bases
    • Cieplak, P.; Caldwell, J.; Kollman, P. Molecular Mechanical Models for Organic and Biological Systems Going Beyond the Atom Centered Two Body Additive Approximation: Aqueous Solution Free Energies of Methanol and N-Methyl Acetamide, Nucleic Acid Base, and Amide Hydrogen Bonding and Chloroform/ Water Partition Coefficients of the Nucleic Acid Bases J. Comput. Chem. 2001, 22, 1048-1057
    • (2001) J. Comput. Chem. , vol.22 , pp. 1048-1057
    • Cieplak, P.1    Caldwell, J.2    Kollman, P.3
  • 44
    • 0030999097 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature
    • Berger, O.; Edholm, O.; Jahnig, F. Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature Biophys. J. 1997, 72, 2002-2013
    • (1997) Biophys. J. , vol.72 , pp. 2002-2013
    • Berger, O.1    Edholm, O.2    Jahnig, F.3
  • 45
    • 41549149586 scopus 로고    scopus 로고
    • Biomolecular Simulation of Membranes: Physical Properties from Different Force Fields
    • Siu, S.; Vácha, R.; Jungwirt, P.; Böckmann, R. A. Biomolecular Simulation of Membranes: Physical Properties from Different Force Fields J. Chem. Phys. 2008, 128, 125103
    • (2008) J. Chem. Phys. , vol.128 , pp. 125103
    • Siu, S.1    Vácha, R.2    Jungwirt, P.3    Böckmann, R.A.4
  • 46
    • 78650186363 scopus 로고    scopus 로고
    • Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations
    • Domański, J.; Stansfeld, P. J.; Sansom, M. S. P.; Beckstein, O. Lipidbook: a Public Repository for Force-Field Parameters Used in Membrane Simulations J. Membr. Biol. 2010, 236, 255-258
    • (2010) J. Membr. Biol. , vol.236 , pp. 255-258
    • Domański, J.1    Stansfeld, P.J.2    Sansom, M.S.P.3    Beckstein, O.4
  • 47
    • 0002775934 scopus 로고
    • Interaction Models for Water in Relation to Protein Hydration
    • In; Pullman, B. Reidel Publishing Company
    • Berendsen, H. J. C.; Postma, J. P. M.; Gunsteren, W. F.; van; Hermans, J. Interaction Models for Water in Relation to Protein Hydration. In Intermol. Forces; Pullman, B., Ed.; Reidel Publishing Company: 1981; pp 331-338.
    • (1981) Intermol. Forces , pp. 331-338
    • Berendsen, H.J.C.1    Postma, J..P.M.2    Gunsteren, W.F.3    Van Hermans, J.4
  • 48
    • 46249092554 scopus 로고    scopus 로고
    • GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
    • Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 49
    • 3142721955 scopus 로고    scopus 로고
    • Molecular Dynamics Study on the Effects of Chain Branching on the Physical Properties of Lipid Bilayers: 2. Permeability
    • Shinoda, W.; Mikami, M.; Baba, T.; Hato, M. Molecular Dynamics Study on the Effects of Chain Branching on the Physical Properties of Lipid Bilayers: 2. Permeability J. Phys. Chem. B 2004, 108, 9346-9356
    • (2004) J. Phys. Chem. B , vol.108 , pp. 9346-9356
    • Shinoda, W.1    Mikami, M.2    Baba, T.3    Hato, M.4
  • 50
    • 0029099308 scopus 로고
    • Incorporation of Surface Tension into Molecular Dynamics Simulation of an Interface: A Fluid Phase Lipid Bilayer Membrane
    • Chiu, S. W.; Clark, M.; Balaji, V.; Subramaniam, S.; Scott, H. L.; Jakobsson, E. Incorporation of Surface Tension into Molecular Dynamics Simulation of an Interface: a Fluid Phase Lipid Bilayer Membrane Biophys. J. 1995, 69, 1230-1245
    • (1995) Biophys. J. , vol.69 , pp. 1230-1245
    • Chiu, S.W.1    Clark, M.2    Balaji, V.3    Subramaniam, S.4    Scott, H.L.5    Jakobsson, E.6
  • 51
    • 33846823909 scopus 로고
    • Particle Mesh Ewald: An N.log(N) Method for Ewald Sums in Large Systems
    • Darden, T.; York, D.; Pedersen, L. Particle Mesh Ewald: An N.log(N) Method for Ewald Sums in Large Systems J. Chem. Phys. 1993, 98, 10089-10092
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 53
    • 33846086933 scopus 로고    scopus 로고
    • Canonical Sampling Through Velocity Rescaling
    • Bussi, G.; Donadio, D.; Parrinello, M. Canonical Sampling Through Velocity Rescaling J. Chem. Phys. 2007, 126, 014101
    • (2007) J. Chem. Phys. , vol.126 , pp. 014101
    • Bussi, G.1    Donadio, D.2    Parrinello, M.3
  • 56
    • 78651282170 scopus 로고    scopus 로고
    • G-wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
    • Hub, J. S.; Groot, B. L. D.; Spoel, D. V. D. g-wham-A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates J. Chem. Theory Comput. 2010, 6, 3713-3720
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 3713-3720
    • Hub, J.S.1    Groot, B.L.D.2    Spoel, D.V.D.3
  • 57
    • 79952585294 scopus 로고    scopus 로고
    • The Influence of Cholesterol on the Properties and Permeability of Hypericin Derivatives in Lipid Membranes
    • Eriksson, E. S. E.; Eriksson, L. A. The Influence of Cholesterol on the Properties and Permeability of Hypericin Derivatives in Lipid Membranes J. Chem. Theory Comput. 2011, 7, 560-574
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 560-574
    • Eriksson, E.S.E.1    Eriksson, L.A.2
  • 59
    • 53749098033 scopus 로고    scopus 로고
    • NMR-Based Molecular Ruler for Determining the Depth of Intercalants within the Lipid Bilayer Part II. The Preparation of a Molecular Ruler
    • Cohen, Y.; Afri, M.; Frimer, A. A. NMR-Based Molecular Ruler for Determining the Depth of Intercalants within the Lipid Bilayer Part II. The Preparation of a Molecular Ruler Chem. Phys. Lipids 2008, 155, 114-119
    • (2008) Chem. Phys. Lipids , vol.155 , pp. 114-119
    • Cohen, Y.1    Afri, M.2    Frimer, A.A.3
  • 60
    • 53749101357 scopus 로고    scopus 로고
    • NMR-Based Molecular Ruler for Determining the Depth of Intercalants within the Lipid Bilayer Part I. Discovering the Guidelines
    • Cohen, Y.; Bodner, E.; Richman, M.; Afri, M.; Frimer, A. A. NMR-Based Molecular Ruler for Determining the Depth of Intercalants within the Lipid Bilayer Part I. Discovering the Guidelines Chem. Phys. Lipids 2008, 155, 98-113
    • (2008) Chem. Phys. Lipids , vol.155 , pp. 98-113
    • Cohen, Y.1    Bodner, E.2    Richman, M.3    Afri, M.4    Frimer, A.A.5
  • 61
    • 33846406882 scopus 로고    scopus 로고
    • A Comparison of Methods to Compute the Potential of Mean Force
    • Trzesniak, D.; Kunz, A.-P. E.; van Gunsteren, W. F. A Comparison of Methods to Compute the Potential of Mean Force ChemPhysChem 2007, 8, 162-169
    • (2007) ChemPhysChem , vol.8 , pp. 162-169
    • Trzesniak, D.1    Kunz, A.-P.E.2    Van Gunsteren, W.F.3


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