Journal of Physical Chemistry

Journal of Physical Chemistry, Vol.100, No.7 Entire volume, number list

ISSN: 0022-3654 (Print)

In this Issue (37 articles)

2457 - 2457	Karplus,Martin - Editorial Note Nozik AJ
2458 - 2474	Karplus,Martin - Biography Brooks CL, Post CB, Rossky P
2475 - 2479	Homology Modeling and Molecular-Dynamics Simulations of the Gla Domains of Human Coagulation-Factor-IX and Its G(12)A Mutant Li LP, Darden T, Hiskey R, Pedersen L
2480 - 2488	A 1.2 Ns Molecular-Dynamics Simulation of the Ribonuclease T-1-3’-Guanosine Monophosphate Complex Elofsson A, Nilsson L
2489 - 2497	Stochastic Dynamics Simulations of Macromolecular Diffusion in a Model of the Cytoplasm of Escherichia-Coli Bicout DJ, Field MJ
2498 - 2509	Protein-Folding Dynamics - Application of the Diffusion-Collision Model to the Folding of a 4-Helix Bundle Yapa KK, Weaver DL
2510 - 2518	Calculation of the Reaction Pathway for the Aromatic Ring Flip in Methotrexate Complexed to Dihydrofolate-Reductase Verma CS, Fischer S, Caves LS, Roberts GC, Hubbard RE
2519 - 2527	Theoretical-Study of H+ Translocation Along a Model Proton Wire Pomes R, Roux B
2528 - 2534	Free-Energy Simulation Studies of the Binding-Specificity of Mannose-Binding Protein Liang G, Schmidt RK, Yu HA, Cumming DA, Brady JW
2535 - 2545	Quantum-Classical Molecular-Dynamics Simulations of Proton-Transfer Processes in Molecular-Complexes and in Enzymes Bala P, Grochowski P, Lesyng B, Mccammon JA
2546 - 2549	Helix-Coil Kinetics - Folding Time Scales for Helical Peptides from a Sequential Kinetic-Model Brooks CL
2550 - 2554	Conformational Free-Energy Landscape of Apapa from Molecular-Dynamics Simulations Norberg J, Nilsson L
2555 - 2563	Molecular-Dynamics Simulations of Cyclic and Linear Dpdpe - Influence of the Disulfide Bond on Peptide Flexibility Wang Y, Kuczera K
2564 - 2566	B-Transition to A-Transition of DNA on the Nanosecond Time-Scale Yang LQ, Pettitt BM
2567 - 2572	Principal Component Analysis and Long-Time Protein Dynamics Balsera MA, Wriggers W, Oono Y, Schulten K
2573 - 2580	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) Matsubara T, Maseras F, Koga N, Morokuma K
2581 - 2587	Calculating Electrostatic Interactions Using the Particle-Particle Particle-Mesh Method with Nonperiodic Long-Range Interactions Luty BA, Vangunsteren WF
2588 - 2596	Ab-Initio Calculations on the Use of Helium and Neon as Probes of the Van-der-Waals Surfaces of Molecules Yin DX, Mackerell AD
2597 - 2604	Theory and Simulation of Stochastically-Gated Diffusion-Influenced Reactions Zhon HX, Szabo A
2605 - 2611	An Experimental Approach to Mapping the Binding Surfaces of Crystalline Proteins Allen KN, Bellamacina CR, Ding XC, Jeffery CJ, Mattos C, Petsko GA, Ringe D
2612 - 2620	Statistical-Mechanics of a Multipolar Gas - A Lattice Field-Theory Approach Coalson RD, Duncan A
2621 - 2636	Reactive Scattering with Row-Orthonormal Hyperspherical Coordinates .1. Transformation Properties and Hamiltonian for Triatomic Systems Kuppermann A
2637 - 2645	Motion and Conformation of Side-Chains in Peptides - A Comparison of 2D Umbrella-Sampling Molecular-Dynamics and NMR Results Beutler TC, Bremi T, Ernst RR, Vangunsteren WF
2646 - 2651	Natural Bond Orbital Analysis of C-13 Chemical Shieldings in Acetylenes Bohmann J, Farrar TC
2652 - 2660	Molecular-Dynamics Simulations of Neat Alkanes - The Viscosity Dependence of Rotational Relaxation Zhang YH, Venable RM, Pastor RW
2661 - 2666	Toward a Description of the Conformations of Denatured States of Proteins - Comparison of a Random Coil Model with NMR Measurements Fiebig KM, Schwalbe H, Buck M, Smith LJ, Dobson CM
2667 - 2674	Structural Dynamics of PMP-D2 - An Experimental and Theoretical-Study Mer G, Dejaegere A, Stote R, Kieffer B, Lefevre JF
2675 - 2680	Variation in Protein Indirect Relaxation Effects in One-Dimensional and 2-Dimensional Exchange-Transferred Overhauser Experiments Zheng J, Post CB
2681 - 2688	Thermodynamics of the Hydration Shell .2. Excess Volume and Compressibility of a Hydrophobic Solute Matubayasi N, Levy RM
2689 - 2697	Simulation of Liquid Amides Using a Polarizable Intermolecular Potential Function Gao JL, Pavelites JJ, Habibollazadeh D
2698 - 2705	Dielectric Continuum Models for Hydration Effects on Peptide Conformational Transitions Osapay K, Young WS, Bashford D, Brooks CL, Case DA
2706 - 2715	Molecular-Dynamics Simulation of Electrolyte-Solutions in Ambient and Supercritical Water .1. Ion Solvation Balbuena PB, Johnston KP, Rossky PJ
2716 - 2722	Molecular-Dynamics Simulation of Electrolyte-Solutions in Ambient and Supercritical Water .2. Relative Acidity of HCl Balbuena PB, Johnston KP, Rossky PJ
2723 - 2730	Soft Sticky Dipole Potential for Liquid Water - A New Model Liu Y, Ichiye T
2731 - 2737	Ab-Initio Analysis of the Effects of Aqueous Solvation on the Resonance Raman Intensities of N-Methylacetamide Markham LM, Hudson BS
2738 - 2743	Free-Energy of Cavity Formation in Liquid Water and Hexane Prevost M, Oliveira IT, Kocher JP, Wodak SJ
2744 - 2752	Calculation of Alkane to Water Solvation Free-Energies Using Continuum Solvent Models Sitkoff D, Bental N, Honig B