Works matching IS 00778923 AND DT 1981 AND VI 367 AND IP 1

Results: 34

EXCITED STATE PROPERTIES OF VISUAL PIGMENTS AND BACTERIORHODOPSIN.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 269, doi. 10.1111/j.1749-6632.1981.tb50573.x

By:

Honig, Barry

Publication type:

Article

ELECTRON CORRELATION IN LARGE MOLECULES WITH MANY-BODY METHODS.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 62, doi. 10.1111/j.1749-6632.1981.tb50562.x

By:

Bartlett, Rodney J.;
Purvis, George D.

Publication type:

Article

ROUND TABLE DISCUSSION.

Published in:: Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 545, doi. 10.1111/j.1749-6632.1981.tb50590.x
Publication type:: Article

QUANTUM CHEMICAL STUDIES OF PROTON TRANSPORT THROUGH BIOMEMBRANES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 493, doi. 10.1111/j.1749-6632.1981.tb50586.x

By:

Scheiner, Steve

Publication type:

Article

THE CATALYTIC FUNCTION OF ACTIVE SITE AMINO ACID SIDE CHAINS IN WELL-CHARACTERIZED ENZYMES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 383, doi. 10.1111/j.1749-6632.1981.tb50580.x

By:

Allen, Leland C.

Publication type:

Article

QUANTUM CHEMICAL CALCULATIONS ON THE TWO-STEP MECHANISM OF PROFLAVIN BINDING TO DNA*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 240, doi. 10.1111/j.1749-6632.1981.tb50571.x

By:

Pack, George R.;
Hashimoto, Gail M.;
Loew, Gilda H.

Publication type:

Article

ALKYLATION, INTERCALATION, AND CONFORMATIONAL PROPERTIES OF NUCLEIC ACID STRUCTURES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 295, doi. 10.1111/j.1749-6632.1981.tb50575.x

By:

Malhotra, D.;
Pearlstein, R.;
Kikuchi, O.;
Mohammad, S. N.;
Nakata, Y.;
Hopfinger, A. J.

Publication type:

Article

STRUCTURE, SPECTRA, AND FUNCTION OF MODEL CYTOCHROME P450.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 192, doi. 10.1111/j.1749-6632.1981.tb50569.x

By:

Loew, Gilda H.;
Herman, Zelek S.;
Rohmer, Marie-Madeleine;
Goldblum, Amiram;
Pudzianowski, Andrew

Publication type:

Article

QUANTUM CHEMICAL STUDIES OF MOLECULAR FEATURES AND RECEPTOR INTERACTIONS THAT MODULATE OPIATE AGONIST AND ANTAGONIST ACTIVITY*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 219, doi. 10.1111/j.1749-6632.1981.tb50570.x

By:

Burt, Stanley K.;
Loew, Gilda H.;
Hashimoto, Gail M.

Publication type:

Article

INTRODUCTION.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. ix, doi. 10.1111/j.1749-6632.1981.tb50557.x

By:

Weinstein, Harel;
Green, Jack Peter

Publication type:

Article

DEVELOPMENT OF THEORETICAL METHODOLOGY FOR LARGE MOLECULES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 1, doi. 10.1111/j.1749-6632.1981.tb50558.x

By:

Maggiora, Gerald M.;
Christoffersen, Ralph E.;
Yoffe, Jonathan A.;
Petke, J. D.

Publication type:

Article

AB-INITIO MODPOT/VRDDO/MERGE CALCULATIONS ON LARGE BIOMEDICAL MOLECULES AND ELECTROSTATIC MOLECULAR POTENTIAL CONTOUR MAPS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 452, doi. 10.1111/j.1749-6632.1981.tb50584.x

By:

Kaufman, Joyce J.;
Hariharan, P. C.;
Popkie, Herbert E.;
Petrongolo, Carlo

Publication type:

Article

QUANTUM CHEMICAL STUDIES ON MOLECULAR DETERMINANTS FOR DRUG ACTION*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 434, doi. 10.1111/j.1749-6632.1981.tb50583.x

By:

Weinstein, Harel;
Osman, Roman;
Topiol, Sid;
Green, Jack Peter

Publication type:

Article

THEORETICAL STUDIES OF THE STRUCTURE AND ENERGIES OF BASE-PAIRED NUCLEOTIDES AND THE DISSOCIATION KINETICS OF A PROFLAVINE-DINUCLEOTIDE COMPLEX*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 250, doi. 10.1111/j.1749-6632.1981.tb50572.x

By:

Kollman, Peter A.;
Weiner, Paul K.;
Dearing, Andrew

Publication type:

Article

MOLECULAR PROPERTIES OF THE CHLORINATED ETHYLENES AND THEIR EPOXIDE METABOLITES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 478, doi. 10.1111/j.1749-6632.1981.tb50585.x

By:

Politzer, Peter;
III, Peter Trefonas;
Politzer, Ieva Ruks;
Elfman, Bradley

Publication type:

Article

SOLVATION OF A DIPEPTIDE BY WATER*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 151, doi. 10.1111/j.1749-6632.1981.tb50566.x

By:

Karplus, Martin;
Rossky, Peter J.

Publication type:

Article

HYDROGEN BOND AND INTERNAL SOLVENT DYNAMICS OF BPTI PROTEIN*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 162, doi. 10.1111/j.1749-6632.1981.tb50567.x

By:

Levitt, Michael

Publication type:

Article

LIQUID STATE COMPUTER SIMULATIONS OF BIOMOLECULAR SOLVATION PROBLEMS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 108, doi. 10.1111/j.1749-6632.1981.tb50564.x

By:

Beveridge, David L.;
Mezei, Mihaly;
Mehrotra, Prem K.;
Marchese, Francis T.;
Thirumalai, Vasu;
Ravi-Shanker, Ganesan

Publication type:

Article

THEORETICAL CALCULATIONS AND DRUG DESIGN.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 510, doi. 10.1111/j.1749-6632.1981.tb50587.x

By:

Gund, P.;
Schlegel, H. B.

Publication type:

Article

IMPLICATIONS OF A CIRCULAR DICHROISM AND THEORETICAL INVESTIGATION OF RIBAVIRIN-RELATED DERIVATIVES IN DRUG DESIGN.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 518, doi. 10.1111/j.1749-6632.1981.tb50588.x

By:

Miles, D. L.;
Miles, D. W.;
Eyring, H.

Publication type:

Article

THE AB INITIO SCF METHOD FOR LARGE MOLECULES.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 59, doi. 10.1111/j.1749-6632.1981.tb50561.x

By:

Veillard, A.

Publication type:

Article

EMPIRICAL VALENCE BOND CALCULATIONS OF ENZYME CATALYSIS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 370, doi. 10.1111/j.1749-6632.1981.tb50579.x

By:

Warshel, A.;
Weiss, R. M.

Publication type:

Article

MODELS FOR ACTIVE SITES OF METALLOENZYMES. II. INTERACTIONS WITH A MODEL SUBSTRATE*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 356, doi. 10.1111/j.1749-6632.1981.tb50578.x

By:

Osman, Roman;
Weinstein, Harel;
Topiol, Sid

Publication type:

Article

THEORETICAL STUDIES OF OXYGEN BINDING*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 419, doi. 10.1111/j.1749-6632.1981.tb50582.x

By:

Goddard, William A.;
Olafson, Barry D.

Publication type:

Article

HYDRATION OF AMINO ACIDS, PEPTIDES, AND MODEL COMPOUNDS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 132, doi. 10.1111/j.1749-6632.1981.tb50565.x

By:

Paterson, Yvonne;
Némethy, George;
Scheraga, Harold A.

Publication type:

Article

SIMULATIONS OF THE SOLVENT STRUCTURE FOR MACROMOLECULES: SOLVATION MODEL FOR B-DNA AND Na<sup>+</sup>-B-DNA DOUBLE HELIX AT 300°K.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 83, doi. 10.1111/j.1749-6632.1981.tb50563.x

By:

Clementi, Enrico;
Corongiu, Giorgina

Publication type:

Article

THEORETICAL STUDIES OF β-LACTAM ANTIBIOTICS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 531, doi. 10.1111/j.1749-6632.1981.tb50589.x

By:

Boyd, Donald B.

Publication type:

Article

CARBONIC ANHYDRASE: THEORETICAL STUDIES OF DIFFERENT HYPOTHESES.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 340, doi. 10.1111/j.1749-6632.1981.tb50577.x

By:

Pullman, Alberte

Publication type:

Article

ASPECTS OF PROTEIN DYNAMICS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 407, doi. 10.1111/j.1749-6632.1981.tb50581.x

By:

Karplus†, Martin

Publication type:

Article

PURINE-AMINO ACID HYDROGEN BONDING INTERACTIONS AND SUGGESTIONS FOR MODELING THE LAC OPERATOR-REPRESSOR SYSTEM*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 281, doi. 10.1111/j.1749-6632.1981.tb50574.x

By:

Garduño, Ramon;
Haydock, Karen;
MacElroy, Robert D.;
Rein, Robert

Publication type:

Article

A SURVEY OF X-RAY DIFFRACTION STUDIES OF ENZYME-OTHER MOLECULE INTERACTIONS AS POSSIBLE MODELS FOR RECEPTOR SITES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 326, doi. 10.1111/j.1749-6632.1981.tb50576.x

By:

Lipscomb, William N.

Publication type:

Article

ASPECTS OF THE MACROMOLECULAR STRUCTURE OF THE NUCLEIC ACIDS*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 182, doi. 10.1111/j.1749-6632.1981.tb50568.x

By:

Pullman, Bernard

Publication type:

Article

APPROXIMATE QUANTUM MECHANICAL METHODS FOR LARGE MOLECULES.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 35, doi. 10.1111/j.1749-6632.1981.tb50560.x

By:

Zerner, Michael C.

Publication type:

Article

EFFECTIVE POTENTIAL METHODS FOR USE IN ELECTRONIC STRUCTURE CALCULATIONS OF LARGE MOLECULES*.

Published in:

Annals of the New York Academy of Sciences, 1981, v. 367, n. 1, p. 17, doi. 10.1111/j.1749-6632.1981.tb50559.x

By:

Topiol, Sid;
Osman, Roman;
Weinstein, Harel

Publication type:

Article