| 381 - 391 |
Structural Waters in the Minor and Major Grooves of DNA-A Major Factor Governing Structural Adjustments of the A-T Mini-Helix
Zubatiuk T, Shishkin O, Gorb L, Hovorun D, Leszczynski J |
| 392 - 409 |
Understanding the Thermostability and Activity of Bacillus subtilis Lipase Mutants: Insights from Molecular Dynamics Simulations
Singh B, Bulusu G, Mitre A |
| 410 - 419 |
Interaction of Palmatine with DNA: An Environmentally Controlled Phototherapy Drug
Dumont E, Monari A |
| 420 - 432 |
Mechanism of the Intramolecular Charge Transfer State Formation in all-trans-beta-Apo-8'-carotenal: Influence of Solvent Polarity and Polarizability
Ragnoni E, Di Donato M, Iagatti A, Lapini A, Righini R |
| 433 - 447 |
Identification of Ubiquinol Binding Motifs at the Q(o)-Site of the Cytochrome bc(1) Complex
Barragan AM, Crofts AR, Schulten K, Solov'yov IA |
| 448 - 455 |
Does the Singlet Minus Triplet Spectrum with Major Photobleaching Band Near 680-682 nm Represent an Intact Reaction Center of Photosystem II?
Chauvet A, Jankowiak R, Kell A, Picorel R, Savikhin S |
| 456 - 464 |
Origin of Circular Dichroism of Xanthorhodopsin. A Study with Artificial Pigments
Koganov ES, Brumfeld V, Friedman N, Sheves M |
| 465 - 473 |
MARTINI Coarse-Grained Model for Crystalline Cellulose Microfibers
Lopez CA, Bellesia G, Redondo A, Langan P, Chundawat SPS, Dale BE, Marrink SJ, Gnanakaran S |
| 474 - 481 |
Theoretical Study on the Relationship between Rp-Phosphorothioation and Base-Step in S-DNA: Based on Energetic and Structural Analysis
Chen LM, Wang XL, Shi T, Wu TT, Deng ZX, Zhao YL |
| 482 - 490 |
Polymorphism in Self-Assembly of Peptide-Based beta-Hairpin Contributes to Network Morphology and Hydrogel Mechanical Rigidity
Miller Y, Ma BY, Nussinov R |
| 491 - 502 |
Direct Radiation Effects to the Amino Acid Side Chain: EMR and Periodic DFT of X-Irradiated L-Asparagine at 6 K
Oyen LF, Aalbergsjo SG, Knudtsen IS, Hole EO, Sagstuen E |
| 503 - 508 |
Charge-Induced Patchy Attractions between Proteins
Li WM, Persson BA, Morin M, Behrens MA, Lund M, Oskolkova MZ |
| 509 - 512 |
Heat Capacity of Molten Halides
Redkin AA, Zaikov YP, Korzun IV, Reznitskikh OG, Yaroslavtseva TV, Kumkov SI |
| 513 - 518 |
High Pressure Raman Scattering and Synchrotron X-ray Diffraction Studies of Benzyl Azide
Jiang JR, Wu XX, Li DM, Ma BH, Liu RR, Wang XL, Zhang J, Zhu HY, Cui QL |
| 519 - 531 |
NO3- Coordination in Aqueous Solutions by N-15/N-14 and O-18/O-nat Isotopic Substitution: What Can We Learn from Molecular Simulation?
Chialvo AA, Vlcek L |
| 532 - 542 |
Solvation of an Excess Electron in Pyrrolidinium Dicyanamide Based Ionic Liquids
Xu CH, Margulis CJ |
| 543 - 551 |
Thermodynamic Study of Binary Mixtures of 1-Butyl-1-methylpyrrolidinium Dicyanamide Ionic Liquid with Molecular Solvents: New Experimental Data and Modeling with PC-SAFT Equation of State
Paduszynski K, Lukoshko EV, Krolikowski M, Domanska U, Szydlowski J |
| 552 - 562 |
Switching to a Reversible Proton Motion in a Charge-Transferred Dye
Gutierrez M, Alarcos N, Liras M, Sanchez F, Douhal A |
| 563 - 571 |
Probing the Structural and Binding Mechanism Heterogeneity of Molecularly Imprinted Polymers
Schauperl M, Lewis DW |
| 572 - 582 |
Co-Micellization Behavior in Poloxamers: Dissipative Particle Dynamics Study
Prhashanna A, Khan SA, Chen SB |
| 583 - 591 |
Heteroatom-Bridged Benzothiazolyls for Organic Solar Cells: A Theoretical Study
Chen RF, Wang Y, Chen T, Li HH, Zheng CH, Yuan K, Wang ZX, Tao Y, Zheng C, Huang W |
| 592 - 603 |
Effect of Benzimidazole Configuration in Polybenzimidazole Chain on Interaction with Phosphoric Acid: A DFT Study
Shirata K, Kawauchi S |
| 604 - 611 |
Encapsulation into Carbon Nanotubes and Release of Anticancer Cisplatin Drug Molecule
Mejri A, Vardanega D, Tangour B, Gharbi T, Picaud F |
| 612 - 619 |
Binding Interaction and Gelation in Aqueous Mixtures of Poly(N-isopropylacrylamide) and Hectorite Clay
Lian CX, Zhang EZ, Wang T, Sun WX, Liu XX, Tong Z |
