Works matching IS 00778923 AND DT 1986 AND VI 482 AND IP 1

Results: 33

Dynamics of Coordinated Water: A Comparison of Experiment and Simulation Results a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 91, doi. 10.1111/j.1749-6632.1986.tb20942.x

By:

MADDEN, P. A.;
IMPEY, R. W.

Publication type:

Article

Nuclear Magnetic Resonance Relaxation and the Dynamics of Proteins and Membranes: Theory and Experiment.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 44, doi. 10.1111/j.1749-6632.1986.tb20935.x

By:

SZABO, ATTILA

Publication type:

Article

Free Energy Simulations a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 1, doi. 10.1111/j.1749-6632.1986.tb20933.x

By:

MEZEI, M.;
BEVERIDGE, D. L.

Publication type:

Article

The Born Model of Ion Solvation Revisited.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 143, doi. 10.1111/j.1749-6632.1986.tb20945.x

By:

RASHIN, ALEXANDER A.;
HONIG, BARRY

Publication type:

Article

Theoretical Models of Spermine/DNA Interactions a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 251, doi. 10.1111/j.1749-6632.1986.tb20958.x

By:

FEUERSTEIN, BURT G.;
PATTABIRAMAN, NAGARAJAN;
MARTON, LAURENCE J.

Publication type:

Article

Dynamic Simulations of Oxygen Binding to Myoglobin.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 222, doi. 10.1111/j.1749-6632.1986.tb20953.x

By:

CASE, DAVID A.;
McCAMMON, J. ANDREW

Publication type:

Article

Index of Contributors.

Published in:: Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 307, doi. 10.1111/j.1749-6632.1986.tb20964.x
Publication type:: Article

Progress in the Water Structure of the Protein Crambin by X-Ray Diffraction at 140 K a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 163, doi. 10.1111/j.1749-6632.1986.tb20947.x

By:

TEETER, MARTHA M.;
HOPE, HÅKON

Publication type:

Article

Molecular Dynamics: Applications to Proteins.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 255, doi. 10.1111/j.1749-6632.1986.tb20959.x

By:

KARPLUS, MARTIN

Publication type:

Article

Energy Minimization Calculations on the Alkali Metal Cation Complexes of Valinomycin.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 248, doi. 10.1111/j.1749-6632.1986.tb20956.x

By:

KUSHICK, JOSEPH N.;
MASUT, REMO A.

Publication type:

Article

Neutron Diffraction Studies of Aqueous Solutions of Molecules of Biological Importance: An Approach to Liquid-State Structural Chemistry.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 127, doi. 10.1111/j.1749-6632.1986.tb20944.x

By:

FINNEY, J.L.;
TURNER, J.

Publication type:

Article

The Structure, Energy, Entropy, and Dynamics of Peptide Crystals a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 145, doi. 10.1111/j.1749-6632.1986.tb20946.x

By:

KITSON, D. H.;
AVBELJ, F.;
EGGLESTON, D. S.;
HAGLER, A. T.

Publication type:

Article

A Vectorized Near-Neighbors Algorithm of Order N for Molecular Dynamics Simulations.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 85, doi. 10.1111/j.1749-6632.1986.tb20940.x

By:

LAMBRAKOS, S. G.;
BORIS, J. P.;
CHANDRASEKHAR, I.;
GABER, B.

Publication type:

Article

Preface.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. ix, doi. 10.1111/j.1749-6632.1986.tb20932.x

By:

BEVERIDGE, D. L.;
JORGENSEN, W. L.

Publication type:

Article

A Comment on Hamiltonian Parameterization in Kirkwood Free Energy Calculations.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 89, doi. 10.1111/j.1749-6632.1986.tb20941.x

By:

CROSS, ALBERT J.

Publication type:

Article

Ionic Association in Water: From Atoms to Enzymes a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 210, doi. 10.1111/j.1749-6632.1986.tb20952.x

By:

McCAMMON, J. ANDREW;
KARIM, OMAR A.;
LYBRAND, TERRY P.;
WONG, CHUNG F.

Publication type:

Article

A Molecular Dynamics Computer Simulation of an Eight-Base-Pair DNA Fragment in Aqueous Solution: Comparison with Experimental Two-Dimensional NMR Data a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 287, doi. 10.1111/j.1749-6632.1986.tb20962.x

By:

GUNSTEREN, W. F.;
BERENDSEN, H. J. C.;
GEURTSEN, R. G.;
ZWINDERMAN, H. R. J.

Publication type:

Article

Simulations of Proteins in Water a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 269, doi. 10.1111/j.1749-6632.1986.tb20961.x

By:

BERENDSEN, H. J. C.;
GUNSTEREN, W. F.;
ZWINDERMAN, H. R. J.;
GEURTSEN, R. G.

Publication type:

Article

Hydrophobic and Ionic Hydration Phenomena a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 115, doi. 10.1111/j.1749-6632.1986.tb20943.x

By:

ROSSKY, PETER J.

Publication type:

Article

Computer Simulation of Nucleotide Crystal Hydrates and Solutions.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 195, doi. 10.1111/j.1749-6632.1986.tb20950.x

By:

HOWELL, P. LYNNE;
GOODFELLOW, JULIA M.

Publication type:

Article

Hydration of Nucleic Acid Crystals a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 166, doi. 10.1111/j.1749-6632.1986.tb20948.x

By:

BERMAN, HELEN M.

Publication type:

Article

Molecular Dynamics Simulation Study of Polypeptide Conformational Equilibria: A Progress Report a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 51, doi. 10.1111/j.1749-6632.1986.tb20936.x

By:

ANDERSON, AMIL;
CARSON, MIKE;
HERMANS, JAN

Publication type:

Article

Computer Simulations of Organic Reactions in Solution a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 198, doi. 10.1111/j.1749-6632.1986.tb20951.x

By:

JORGENSEN, WILLIAM L.;
CHANDRASEKHAR, JAYARAMAN;
BUCKNER, J. KATHLEEN;
MADURA, JEFFRY D.

Publication type:

Article

Computer Simulation of DNA Supercoiling a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 69, doi. 10.1111/j.1749-6632.1986.tb20938.x

By:

OLSON, WILMA K.;
CICARIELLO, JANET

Publication type:

Article

Tryptophan Structure and Dynamics Using GROMOS.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 304, doi. 10.1111/j.1749-6632.1986.tb20963.x

By:

ENGH, RICHARD A.;
CHEN, LIN X.;
FLEMING, GRAHAM R.

Publication type:

Article

Modeling Complex Molecular Interactions Involving Proteins and DNA a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 234, doi. 10.1111/j.1749-6632.1986.tb20954.x

By:

KOLLMAN, PETER A.;
WEINER, SCOTT;
SEIBEL, GEORGE;
LYBRAND, TERRY;
SINGH, U. CHANDRA;
CALDWELL, JAMES;
RAO, SHASHIDHAR N.

Publication type:

Article

Salt Effects on Enzyme-Substrate Interactions by Monte Carlo Simulation a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 245, doi. 10.1111/j.1749-6632.1986.tb20955.x

By:

BACQUET, R. J.;
McCAMMON, J. A.

Publication type:

Article

A Lysozyme Molecular Dynamics Simulation.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 267, doi. 10.1111/j.1749-6632.1986.tb20960.x

By:

POST, CAROL B.;
KARPLUS, MARTIN;
DOBSON, CHRISTOPHER

Publication type:

Article

A Molecular Mechanics Study (AMBER) of the Displacement of Thyroxine from the Binding Pocket of Prealbumin by PCBs and PCB Analogues.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 249, doi. 10.1111/j.1749-6632.1986.tb20957.x

By:

DARDEN, T.;
McKINNEY, J.;
MAYNARD, A.;
OATLEY, S.;
PEDERSEN, L.

Publication type:

Article

Monte Carlo Studies of Water in Crystal Hydrates.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 179, doi. 10.1111/j.1749-6632.1986.tb20949.x

By:

GOODFELLOW, JULIA M.;
HOWELL, P. LYNNE;
VOVELLE, FRANÇOISE

Publication type:

Article

Conformational Energy Calculations on Polypeptides and Proteins: Use of a Statistical Mechanical Procedure for Evaluating Structure and Properties a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 60, doi. 10.1111/j.1749-6632.1986.tb20937.x

By:

SCHERAGA, HAROLD A.;
PAINE, GREGORY H.

Publication type:

Article

Calculation of Atomic Charges in Large Molecules a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 82, doi. 10.1111/j.1749-6632.1986.tb20939.x

By:

SHANKAR, S.;
MORTIER, W. J.;
GHOSH, S. K.

Publication type:

Article

Computer Simulations of Macromolecular Dynamics: Models for Vibrational Spectroscopy and X-Ray Refinement a.

Published in:

Annals of the New York Academy of Sciences, 1986, v. 482, n. 1, p. 24, doi. 10.1111/j.1749-6632.1986.tb20934.x

By:

LEVY, RONALD M.

Publication type:

Article

Works matching IS 00778923 AND DT 1986 AND VI 482 AND IP 1

Dynamics of Coordinated Water: A Comparison of Experiment and Simulation Results<sup> a</sup>.

Nuclear Magnetic Resonance Relaxation and the Dynamics of Proteins and Membranes: Theory and Experiment.

Free Energy Simulations<sup> a</sup>.

The Born Model of Ion Solvation Revisited.

Theoretical Models of Spermine/DNA Interactions<sup> a</sup>.

Dynamic Simulations of Oxygen Binding to Myoglobin.

Index of Contributors.

Progress in the Water Structure of the Protein Crambin by X-Ray Diffraction at 140 K<sup> a</sup>.

Molecular Dynamics: Applications to Proteins.

Energy Minimization Calculations on the Alkali Metal Cation Complexes of Valinomycin.

Neutron Diffraction Studies of Aqueous Solutions of Molecules of Biological Importance: An Approach to Liquid-State Structural Chemistry.

The Structure, Energy, Entropy, and Dynamics of Peptide Crystals<sup> a</sup>.

A Vectorized Near-Neighbors Algorithm of Order N for Molecular Dynamics Simulations.

Preface.

A Comment on Hamiltonian Parameterization in Kirkwood Free Energy Calculations.

Ionic Association in Water: From Atoms to Enzymes<sup> a</sup>.

A Molecular Dynamics Computer Simulation of an Eight-Base-Pair DNA Fragment in Aqueous Solution: Comparison with Experimental Two-Dimensional NMR Data<sup> a</sup>.

Simulations of Proteins in Water<sup> a</sup>.

Hydrophobic and Ionic Hydration Phenomena<sup> a</sup>.

Computer Simulation of Nucleotide Crystal Hydrates and Solutions.

Hydration of Nucleic Acid Crystals<sup> a</sup>.

Molecular Dynamics Simulation Study of Polypeptide Conformational Equilibria: A Progress Report<sup> a</sup>.

Computer Simulations of Organic Reactions in Solution<sup> a</sup>.

Computer Simulation of DNA Supercoiling<sup> a</sup>.

Tryptophan Structure and Dynamics Using GROMOS.

Modeling Complex Molecular Interactions Involving Proteins and DNA<sup> a</sup>.

Salt Effects on Enzyme-Substrate Interactions by Monte Carlo Simulation<sup> a</sup>.

A Lysozyme Molecular Dynamics Simulation.

A Molecular Mechanics Study (AMBER) of the Displacement of Thyroxine from the Binding Pocket of Prealbumin by PCBs and PCB Analogues.

Monte Carlo Studies of Water in Crystal Hydrates.

Conformational Energy Calculations on Polypeptides and Proteins: Use of a Statistical Mechanical Procedure for Evaluating Structure and Properties<sup> a</sup>.

Calculation of Atomic Charges in Large Molecules<sup> a</sup>.

Computer Simulations of Macromolecular Dynamics: Models for Vibrational Spectroscopy and X-Ray Refinement<sup> a</sup>.