JOURNAL OF PHYSICAL CHEMISTRY.
1996, FEB 15, V100, N7.
ISSN 0022-3654.
AR1: KARPLUS,MARTIN - EDITORIAL NOTE. (English). Editorial
material. NOZIK-AJ. p 2457
AR2: KARPLUS,MARTIN - BIOGRAPHY. (English). Item about an
individual. BROOKS-CL. POST-CB. ROSSKY-P. p 2458
AR3: HOMOLOGY MODELING AND MOLECULAR DYNAMICS SIMULATIONS OF THE
GLA DOMAINS OF HUMAN COAGULATION FACTOR IX AND ITS G(12)A MUTANT.
(English).Article.LI-LP.DARDEN-T.HISKEY-R.PEDERSEN-L. p 2475
AR4: A 1.2 NS MOLECULAR DYNAMICS SIMULATION OF THE RIBONUCLEASE
T-1-3'-GUANOSINE MONOPHOSPHATE COMPLEX. (English). Article.
ELOFSSON-A. NILSSON-L. p 2480
AR5: STOCHASTIC DYNAMICS SIMULATIONS OF MACROMOLECULAR DIFFUSION
IN A MODEL OF THE CYTOPLASM OF ESCHERICHIA COLI. (English).
Article. BICOUT-DJ. FIELD-MJ. p 2489
AR6: PROTEIN FOLDING DYNAMICS - APPLICATION OF THE
DIFFUSION-COLLISION MODEL TO THE FOLDING OF A FOUR-HELIX BUNDLE.
(English). Article. YAPA-KK. WEAVER-DL. p 2498
AR7: CALCULATION OF THE REACTION PATHWAY FOR THE AROMATIC RING
FLIP IN METHOTREXATE COMPLEXED TO DIHYDROFOLATE REDUCTASE.(English).
Article.VERMA-CS.FISCHER-S.CAVES-LSD.ROBERTS-GCK.HUBBARD-RE.p 2510
AR8: THEORETICAL STUDY OF H+ TRANSLOCATION ALONG A MODEL PROTON
WIRE. (English). Article. POMES-R. ROUX-B. p 2519
AR9: FREE ENERGY SIMULATION STUDIES OF THE BINDING SPECIFICITY
OF MANNOSE-BINDING PROTEIN. (English). Article.
LIANG-G. SCHMIDT-RK. YU-HA. CUMMING-DA. BRADY-JW. p 2528
AR10: QUANTUM-CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF PROTON
TRANSFER PROCESSES IN MOLECULAR COMPLEXES AND IN ENZYMES.(English).
Article.BALA-P.GROCHOWSKI-P.LESYNG-B. MCCAMMON-JA. p 2535
AR11: HELIX-COIL KINETICS - FOLDING TIME SCALES FOR HELICAL
PEPTIDES FROM A SEQUENTIAL KINETIC MODEL. (English). Article.
BROOKS-CL. p 2546
AR12: CONFORMATIONAL FREE ENERGY LANDSCAPE OF APAPA FROM
MOLECULAR DYNAMICS SIMULATIONS. (English). Article.
NORBERG-J. NILSSON-L. p 2550
AR13: MOLECULAR DYNAMICS SIMULATIONS OF CYCLIC AND LINEAR DPDPE
- INFLUENCE OF THE DISULFIDE BOND ON PEPTIDE FLEXIBILITY.
(English). Article. WANG-Y. KUCZERA-K. p 2555
AR14: B TO A TRANSITION OF DNA ON THE NANOSECOND TIME SCALE.
(English). Article. YANG-LQ. PETTITT-BM. p 2564
AR15: PRINCIPAL COMPONENT ANALYSIS AND LONG TIME PROTEIN DYNAMICS.
(English).Article.BALSERA-MA.WRIGGERS-W.OONO-Y.SCHULTEN-K. p 2567
AR16: APPLICATION OF THE NEW INTEGRATED MO+MM (IMOMM) METHOD TO
THE ORGANOMETALLIC REACTION PT(PR(3))(2)+H-2 (R=H, ME, T-BU, AND PH).
(English).Article.MATSUBARA-T.MASERAS-F.KOGA-N.MOROKUMA-K. p 2573
AR17: CALCULATING ELECTROSTATIC INTERACTIONS USING THE
PARTICLE-PARTICLE PARTICLE-MESH METHOD WITH NONPERIODIC
LONG-RANGE INTERACTIONS. (English). Article.
LUTY-BA. VANGUNSTEREN-WF. p 2581
AR18: AB INITIO CALCULATIONS ON THE USE OF HELIUM AND NEON AS
PROBES OF THE VAN DER WAALS SURFACES OF MOLECULES. (English).
Article. YIN-DX. MACKERELL-AD. p 2588
AR19: THEORY AND SIMULATION OF STOCHASTICALLY-GATED
DIFFUSION-INFLUENCED REACTIONS. (English). Article.
ZHON-HX. SZABO-A. p 2597
AR20: AN EXPERIMENTAL APPROACH TO MAPPING THE BINDING SURFACES
OF CRYSTALLINE PROTEINS. (English). Article.
ALLEN-KN. BELLAMACINA-CR. DING-XC. JEFFERY-CJ. MATTOS-C.
PETSKO-GA. RINGE-D. p 2605
AR21: STATISTICAL MECHANICS OF A MULTIPOLAR GAS - A LATTICE FIELD
THEORY APPROACH.(English).Article.COALSON-RD.DUNCAN-A. p 2612
AR22: REACTIVE SCATTERING WITH ROW-ORTHONORMAL HYPERSPHERICAL
COORDINATES .1. TRANSFORMATION PROPERTIES AND HAMILTONIAN FOR
TRIATOMIC SYSTEMS. (English). Review. KUPPERMANN-A. p 2621
AR23: MOTION AND CONFORMATION OF SIDE CHAINS IN PEPTIDES - A
COMPARISON OF 2D UMBRELLA-SAMPLING MOLECULAR DYNAMICS AND NMR
RESULTS. (English). Article.
BEUTLER-TC. BREMI-T. ERNST-RR. VANGUNSTEREN-WF. p 2637
AR24: NATURAL BOND ORBITAL ANALYSIS OF CARBON-13 CHEMICAL
SHIELDINGS IN ACETYLENES. (English). Article.
BOHMANN-J. FARRAR-TC. p 2646
AR25: MOLECULAR DYNAMICS SIMULATIONS OF NEAT ALKANES - THE
VISCOSITY DEPENDENCE OF ROTATIONAL RELAXATION. (English).
Article. ZHANG-YH. VENABLE-RM. PASTOR-RW. p 2652
AR26: TOWARD A DESCRIPTION OF THE CONFORMATIONS OF DENATURED
STATES OF PROTEINS - COMPARISON OF A RANDOM COIL MODEL WITH NMR
MEASUREMENTS. (English). Article.
FIEBIG-KM. SCHWALBE-H. BUCK-M. SMITH-LJ. DOBSON-CM. p 2661
AR27: STRUCTURAL DYNAMICS OF PMP-D2 - AN EXPERIMENTAL AND
THEORETICAL STUDY. (English). Article.
MER-G. DEJAEGERE-A. STOTE-R. KIEFFER-B. LEFEVRE-JF. p 2667
AR28: VARIATION IN PROTEIN INDIRECT RELAXATION EFFECTS IN ONE-
AND TWO-DIMENSIONAL EXCHANGE-TRANSFERRED OVERHAUSER EXPERIMENTS.
(English). Article. ZHENG-J. POST-CB. p 2675
AR29: THERMODYNAMICS OF THE HYDRATION SHELL .2. EXCESS VOLUME
AND COMPRESSIBILITY OF A HYDROPHOBIC SOLUTE. (English).
Article. MATUBAYASI-N. LEVY-RM. p 2681
AR30: SIMULATION OF LIQUID AMIDES USING A POLARIZABLE
INTERMOLECULAR POTENTIAL FUNCTION. (English). Article.
GAO-JL. PAVELITES-JJ. HABIBOLLAZADEH-D. p 2689
AR31: DIELECTRIC CONTINUUM MODELS FOR HYDRATION EFFECTS ON
PEPTIDE CONFORMATIONAL TRANSITIONS. (English). Article.
OSAPAY-K. YOUNG-WS. BASHFORD-D. BROOKS-CL. CASE-DA. p 2698
AR32: MOLECULAR DYNAMICS SIMULATION OF ELECTROLYTE SOLUTIONS IN
AMBIENT AND SUPERCRITICAL WATER .1. ION SOLVATION. (English).
Article. BALBUENA-PB. JOHNSTON-KP. ROSSKY-PJ. p 2706
AR33: MOLECULAR DYNAMICS SIMULATION OF ELECTROLYTE SOLUTIONS IN
AMBIENT AND SUPERCRITICAL WATER .2. RELATIVE ACIDITY OF HCL.
(English).Article.BALBUENA-PB.JOHNSTON-KP.ROSSKY-PJ. p 2716
AR34: SOFT STICKY DIPOLE POTENTIAL FOR LIQUID WATER - A NEW
MODEL. (English). Article. LIU-Y. ICHIYE-T. p 2723
AR35: AB INITIO ANALYSIS OF THE EFFECTS OF AQUEOUS SOLVATION ON
THE RESONANCE RAMAN INTENSITIES OF N-METHYLACETAMIDE. (English).
Article. MARKHAM-LM. HUDSON-BS. p 2731
AR36: FREE ENERGY OF CAVITY FORMATION IN LIQUID WATER AND
HEXANE. (English). Article.
PREVOST-M. OLIVEIRA-IT. KOCHER-JP. WODAK-SJ. p 2738
AR37: CALCULATION OF ALKANE TO WATER SOLVATION FREE ENERGIES
USING CONTINUUM SOLVENT MODELS. (English). Article.
SITKOFF-D. BENTAL-N. HONIG-B. p 2744