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catalog contributor b11476337.
catalog contributor b11476338.
catalog contributor b11476339.
catalog created "1986.".
catalog date "1986".
catalog date "1986.".
catalog dateCopyrighted "1986.".
catalog description "A comment on Hamiltonian parameterization in Kirkwood free energy calculations / Albert J. Cross -- Part II: Aqueous solutions -- Dynamics of coordinated water : a comparison of experiment and simulation results / P.A. Madden, R.W. Impley -- Hydrophobic and ionic hydration phenomena / Peter J. Rossky -- Neutron diffraction studies of aqueous solutions of molecules of biological importance : an approach to liquid-state structural chemistry / J.L. Finney, J. Turner -- The born model of ion solvation revisited / Alexander A. Rashin, Barry Honig -- Part III: Crystal hydrates -- The structure, energy, entropy, and dynamics of peptide crystals / D.H. Kitson, F. Avbelj, D.S. Eggleston [and others] -- Progress in the water structure of the protein crambin by x-ray diffraction at 140 K / Martha M. Teeter, Håkon Hope -- Hydration of nucleic acid crystals / Helen M. Berman -- Monte Carlo studies of water in crystal hydrates / Julia M. Goodfellow, P. Lynne Howell, Françoise Vovelle -- ".
catalog description "A molecular mechanics study (AMBER) of the displacement of thyroxine from the from the binding pocket of prealbumin by PCBs and PCB analogues / T. Darden, J. McKinney, A. Maynard [and others] -- Theoretical models of spermine/DNA interactions / Burt G. Feuerstein, Nagarajan Pattabiraman, Laurence J. Marton -- Part V: Biomacromolecules -- Molecular dynamics : applications to proteins / Martin Karplus -- A lysozyme molecular dynamics simulation / Carol B. Post, Martin Karplus, Christopher Dobson -- Simulation of proteins in water / H.J.C. Berendsen, W.F. Van Gunsteren [and others] -- A molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution : comparison with experimental two-dimensional NMR data / W.F. Van Gunsteren, H.J.C. Berendsen, R.G. Geurtsen [and others] -- Tryptophan structure and dynamics using GROMOS / Richard A. Engh, Lin X. Chen, Graham R. Fleming.".
catalog description "Computer simulation of nucleotide crystal hydrates and solutions / P. Lynne Howell, Julia M. Goodfellow -- Part IV: Reactions and interactions -- Computer simulations of organic reactions in solution / William L. Jorgensen, Jayaraman Chandrasekhar, J. Kathleen Buckner [and others] -- Ionic association in water : from atoms to enzymes / J. Andrew McCammon, Omar A. Karim, Terry P. Lybrand [and others] -- Dynamic simulations of oxygen binding to myoglobin / David A. Case, J. Andrew McCammon -- Modeling complex molecular interactions involving proteins and DNA / Peter A. Kollman, Scott Weiner, George Seibel [and others] -- Salt effects on enzyme-substrate interactions by Monte Carlo simulation / R.J. Bacquet, J.A. McCammon -- Energy minimization calculations on the alkaii metal cation complexes of valinomycin / Joseph N. Kushick, Remo A. Masut -- ".
catalog description "Includes bibliographies and index.".
catalog description "Part I: Procedures and methodology -- Free energy simulations / M. Mezei, D.L. Beveridge -- Computer simulations of macromolecular dynamics : models for vibrational spectroscopy and x-ray refinement / Ronald M. Levy -- Nuclear magnetic resonance relaxation and the dynamics of proteins and membranes : theory and experiment / Attila Szabo -- Molecular dynamics simulation study of polypeptide conformational equilibria : a progress report / Amil Anderson, Mike Carson, Jan Hermans -- Conformational energy calculations on polypeptide and proteins : use of a statistical mechanical procedure for evaluating structure and properties / Harold A. Scheraga, Gregory H. Paine -- Computer simulation of DNA supercoiling / Wilma K. Olson, Janet Cicariello -- Calculation of atomic charges in large molecules / S. Shankar W.J. Mortier, S.K. Ghosh -- A vectorized near-neighbors algorithm of order N for molecular dynamics simulations / S.G. Lambrakos, J.P. Boris, I. Chandrasekhar [and others] -- ".
catalog extent "x, 307 p. :".
catalog hasFormat "Computer simulation of chemical and biomolecular systems.".
catalog identifier "0897663594".
catalog identifier "0897663608 (pbk.)".
catalog isFormatOf "Computer simulation of chemical and biomolecular systems.".
catalog isPartOf "Annals of the New York Academy of Sciences, 0077-8923 ; v. 482".
catalog issued "1986".
catalog issued "1986.".
catalog language "eng".
catalog publisher "New York, N.Y. : New York Academy of Sciences,".
catalog relation "Computer simulation of chemical and biomolecular systems.".
catalog subject "500 s 541.2/2/0724 19".
catalog subject "Biochemistry methods Congresses.".
catalog subject "Computer Simulation Congresses.".
catalog subject "Models, Molecular Congresses.".
catalog subject "Molecular Biology methods Congresses.".
catalog subject "Molecular dynamics Data processing Congresses.".
catalog subject "Molecular dynamics Mathematical models Congresses.".
catalog subject "Molecular structure Data processing Congresses.".
catalog subject "Molecular structure Mathematical models Congresses.".
catalog subject "Q11 .N5 vol. 482 QD461".
catalog subject "QU 26.5 C738 1985".
catalog subject "W1 AN626YL v.482 1986".
catalog tableOfContents "A comment on Hamiltonian parameterization in Kirkwood free energy calculations / Albert J. Cross -- Part II: Aqueous solutions -- Dynamics of coordinated water : a comparison of experiment and simulation results / P.A. Madden, R.W. Impley -- Hydrophobic and ionic hydration phenomena / Peter J. Rossky -- Neutron diffraction studies of aqueous solutions of molecules of biological importance : an approach to liquid-state structural chemistry / J.L. Finney, J. Turner -- The born model of ion solvation revisited / Alexander A. Rashin, Barry Honig -- Part III: Crystal hydrates -- The structure, energy, entropy, and dynamics of peptide crystals / D.H. Kitson, F. Avbelj, D.S. Eggleston [and others] -- Progress in the water structure of the protein crambin by x-ray diffraction at 140 K / Martha M. Teeter, Håkon Hope -- Hydration of nucleic acid crystals / Helen M. Berman -- Monte Carlo studies of water in crystal hydrates / Julia M. Goodfellow, P. Lynne Howell, Françoise Vovelle -- ".
catalog tableOfContents "A molecular mechanics study (AMBER) of the displacement of thyroxine from the from the binding pocket of prealbumin by PCBs and PCB analogues / T. Darden, J. McKinney, A. Maynard [and others] -- Theoretical models of spermine/DNA interactions / Burt G. Feuerstein, Nagarajan Pattabiraman, Laurence J. Marton -- Part V: Biomacromolecules -- Molecular dynamics : applications to proteins / Martin Karplus -- A lysozyme molecular dynamics simulation / Carol B. Post, Martin Karplus, Christopher Dobson -- Simulation of proteins in water / H.J.C. Berendsen, W.F. Van Gunsteren [and others] -- A molecular dynamics computer simulation of an eight-base-pair DNA fragment in aqueous solution : comparison with experimental two-dimensional NMR data / W.F. Van Gunsteren, H.J.C. Berendsen, R.G. Geurtsen [and others] -- Tryptophan structure and dynamics using GROMOS / Richard A. Engh, Lin X. Chen, Graham R. Fleming.".
catalog tableOfContents "Computer simulation of nucleotide crystal hydrates and solutions / P. Lynne Howell, Julia M. Goodfellow -- Part IV: Reactions and interactions -- Computer simulations of organic reactions in solution / William L. Jorgensen, Jayaraman Chandrasekhar, J. Kathleen Buckner [and others] -- Ionic association in water : from atoms to enzymes / J. Andrew McCammon, Omar A. Karim, Terry P. Lybrand [and others] -- Dynamic simulations of oxygen binding to myoglobin / David A. Case, J. Andrew McCammon -- Modeling complex molecular interactions involving proteins and DNA / Peter A. Kollman, Scott Weiner, George Seibel [and others] -- Salt effects on enzyme-substrate interactions by Monte Carlo simulation / R.J. Bacquet, J.A. McCammon -- Energy minimization calculations on the alkaii metal cation complexes of valinomycin / Joseph N. Kushick, Remo A. Masut -- ".
catalog tableOfContents "Part I: Procedures and methodology -- Free energy simulations / M. Mezei, D.L. Beveridge -- Computer simulations of macromolecular dynamics : models for vibrational spectroscopy and x-ray refinement / Ronald M. Levy -- Nuclear magnetic resonance relaxation and the dynamics of proteins and membranes : theory and experiment / Attila Szabo -- Molecular dynamics simulation study of polypeptide conformational equilibria : a progress report / Amil Anderson, Mike Carson, Jan Hermans -- Conformational energy calculations on polypeptide and proteins : use of a statistical mechanical procedure for evaluating structure and properties / Harold A. Scheraga, Gregory H. Paine -- Computer simulation of DNA supercoiling / Wilma K. Olson, Janet Cicariello -- Calculation of atomic charges in large molecules / S. Shankar W.J. Mortier, S.K. Ghosh -- A vectorized near-neighbors algorithm of order N for molecular dynamics simulations / S.G. Lambrakos, J.P. Boris, I. Chandrasekhar [and others] -- ".
catalog title "Computer simulation of chemical and biomolecular systems / edited by David L. Beveridge and William L. Jorgensen.".
catalog type "Conference proceedings. fast".
catalog type "text".