Journal of Physical Chemistry B

Journal of Physical Chemistry B, Vol.125, No.3 Entire volume, number list

ISSN: 1520-6106 (Print)

In this Issue (26 articles)

689 - 702	Biomolecular QM/MM Simulations: What Are Some of the "Burning Issues"? Cui Q, Pal T, Xie LK
703 - 721	Computational Study of Helical and Helix-Hinge-Helix Conformations of an Anti-Microbial Peptide in Solution by Molecular Dynamics and Vibrational Analysis Joodaki F, Martin LM, Greenfield ML
722 - 728	Fabrication of Electronic Junctions between Oriented Multilayers of Photosystem I and the Electrodes of Optoelectronic Solid-State Devices Barhom H, Carmeli C, Carmeli I
729 - 739	Synchronous and Asynchronous Response in Dynamically Perturbed Proteins Hacisuleyman A, Erkip A, Erman B, Erman B
740 - 747	Magnesium Contact Ions Stabilize the Tertiary Structure of Transfer RNA: Electrostatics Mapped by Two-Dimensional Infrared Spectra and Theoretical Simulations Schauss J, Kundu A, Fingerhut BP, Elsaesser T
748 - 756	Dynamics and Environmental Characteristics of Spin Labels in a KvAP Voltage Sensor by Molecular Dynamics Simulations Ngoc LLN, Pandey RB, Sompornpsut P
757 - 770	Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang Sen T, Ma YY, Polyakov IV, Grigorenko BL, Nemukhin AV, Krylov AI
771 - 779	Thermodynamics of DNA Hybridization from Atomistic Simulations Zerze GH, Stillinger FH, Debenedetti PG
780 - 788	Structure and Dynamics of Ribonuclease A during Thermal Unfolding: The Failure of the Zimm Model Fischer J, Radulescu A, Falus P, Richter D, Biehl R
789 - 797	Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme Korshunova K, Carloni P
798 - 804	Systematic Differences between Current Molecular Dynamics Force Fields To Represent Local Properties of Intrinsically Disordered Proteins Yu L, Li DW, Bruschweiler R
805 - 816	SRLS Analysis of( 15)N-H-1 NMR Relaxation from the Protein S100A1: Dynamic Structure, Calcium Binding, and Related Changes in Conformational Entropy Mendelman N, Menpvitch E
817 - 824	Water-Mediated Interactions Determine Helix Formation of Peptides in Open Nanotubes Suvlu D, Thirumalai D, Rasaiah JC
825 - 840	Phosphorothioate Substitutions in RNA Structure Studied by Molecular Dynamics Simulations, QM/MM Calculations, and NMR Experiments Zhang ZY, Vogele J, Mrazikova K, Kruse H, Cang XH, Wohnert J, Krepl M, Sponer J
841 - 849	Electron Spin Relaxation Studies of Polydopamine Radicals Tadyszak K, Mrowczynski R, Carmieli R
850 - 873	Dynamic Network Modeling of Allosteric Interactions and Communication Pathways in the SARS-CoV-2 Spike Trimer Mutants: Differential Modulation of Conformational Landscapes and Signal Transmission via Cascades of Regulatory Switches Verkhivker GM, Di Paola L
874 - 882	Vibrational Energy Flow in the Uracil-H2O Complexes Ree J, Ko KC, Kim YH, Shin HK
883 - 894	How to Achieve a Monostable Cassie State on a Micropillar-Arrayed Superhydrophobic Surface Huang LY, Yao Y, Peng ZL, Zhang B, Chen SH
895 - 906	Glutathione Self-Assembles into a Shell of Hydrogen-Bonded Intermolecular Aggregates on "Naked" Silver Nanoparticles Basu A, Vaskevich A, Chuntonov L
907 - 917	Mechanism of Gold-Silver Alloy Nanoparticle Formation by Laser Coreduction of Gold and Silver Ions in Solution Nguyen CM, Batista LMF, John MG, Rodrigues CJ, Tibbetts KM
918 - 925	Anionic Fluorinated Zn-porphyrin Combined with Cationic Endohedral Li-fullerene for Long-Lived Photoinduced Charge Separation with Low Energy Loss Miwa K, Aoyagi S, Sasamori T, Ueno H, Okada H, Ohkubo K
926 - 936	Adsorption-Based Separation of Near-Azeotropic Mixtures-A Challenging Example for High-Throughput Development of Adsorbents Tang D, Gharagheizi F, Sholl DS
937 - 949	Local Structural Fingerprints of Nanoparticle-Bound Polymer Layers Gooneie A
950 - 955	Charge-Induced Birefringence in a Room-Temperature Ionic Liquid Wang YF, Swain GM, Blanchard GJ
956 - 969	Phase Separation and Nematic Order in Lyotropic Solutions: Two Types of Polymers with Different Stiffnesses in a Common Solvent Egorov SA, Milchev A, Nikoubashman A, Binder K
970 - 979	Single Ice Crystal Growth with Controlled Orientation during Directional Freezing Zhang TX, Wang LL, Wang ZJ, Li JJ, Wang JC