| 1009 - 1016 |
Nanoparticle-Cell Interactions: Relevance for Public Health
Runa S, Hussey M, Payne CK |
| 1017 - 1025 |
Characterizing Conformational Dynamics of Proteins Using Evolutionary Couplings
Feng JY, Shukla D |
| 1026 - 1036 |
Binding Mechanisms of Electron Transport Proteins with Cyanobacterial Photosystem I: An Integrated Computational and Experimental Model
Kapoor K, Cashman DJ, Nientimp L, Bruce BD, Baudry J |
| 1037 - 1048 |
Insight into the Role of the Hv1 C-Terminal Domain in Dimer Stabilization
Boonamnaj P, Sompornpisut P |
| 1049 - 1059 |
Rotamer-Specific Photoisomerization of Difluorostilbenes from Transient Absorption and Transient Raman Spectroscopy
Quick M, Dobryakov AL, Ioffe IN, Berndt F, Mahrwald R, Emsting NP, Kovalenko SA |
| 1060 - 1065 |
Impact of Ionic Liquids on the Structure and Dynamics of Collagen
Tarannum A, Adams A, Bliirnich B, Fathima NN |
| 1066 - 1080 |
Lipid-Controlled Stabilization of Charge-Separated States (P(+)Q(B)(-)) and Photocurrent Generation Activity of a Light-Harvesting-Reaction Center Core Complex (LH1-RC) from Rhodopseudomonas palustris
Noji T, Matsuo M, Takeda N, Sumino A, Kondo M, Nango M, Itoh S, Dewa T |
| 1081 - 1091 |
Energetics Underlying Twist Polymorphisms in Amyloid Fibrils
Periole X, Huber T, Bonito-Oliva A, Aberg KC, van der Wel PCA, Sakmar TP, Marrink SJ |
| 1092 - 1101 |
Unraveling the Critical Role Played by (Ado76)2 ' OH in the Post-Transfer Editing by Archaeal Threonyl-tRNA Synthetase
Aboelnga MM, Hayward JJ, Gauld JW |
| 1102 - 1111 |
Unfolding and Targeting Thermodynamics of a DNA Intramolecular Complex with Joined Triplex-Duplex Domains
Johnson SE, Reiling-Steffensmeier C, Lee HT, Marky LA |
| 1112 - 1120 |
Specificity versus Processivity in the Sequential Modification of DNA: A Study of DNA Adenine Methyltransferase
Barel I, Naughton B, Reich NO, Brown FLH |
| 1121 - 1131 |
QM/MM and MM MD Simulations on the Pyrimidine-Specific Nucleoside Hydrolase: A Comprehensive Understanding of Enzymatic Hydrolysis of Uridine
Fan FF, Chen NH, Wang YH, Wu RB, Cao ZX |
| 1132 - 1144 |
Glutamate Induced Thermal Equilibrium Intermediate and Counteracting Effect on Chemical Denaturation of Proteins
Anumalla B, Prabhu NP |
| 1145 - 1151 |
Choline-Based Amino Acid ILs-Collagen Interaction: Enunciating Its Role in Stabilization/Destabilization Phenomena
Tarannum A, Rao JR, Fathima NN |
| 1152 - 1160 |
Computational Study of Uracil Tautomeric Forms in the Ribosome: The Case of Uracil and 5-Oxyacetic Acid Uracil in the First Anticodon Position of tRNA
Hartono YD, Ito M, Villa A, Nilsson L |
| 1161 - 1168 |
Insights into Mollusk Shell Formation: Interlamellar and Lamellar-Specific Nacre Protein Hydrogels Differ in Ion Interaction Signatures
Pendola M, Evans JS |
| 1169 - 1175 |
Multiple Conformational States Contribute to the 3D Structure of a Glucan Decasaccharide: A Combined SAXS and MD Simulation Study
Jo S, Myatt D, Qi YF, Doutch J, Clifton LA, Im W, Widmalm G |
| 1176 - 1184 |
Binding Specificity Determines the Cytochrome P450 3A4 Mediated Enantioselective Metabolism of Metconazole
Zhuang SL, Zhang LL, Zhan TJ, Lu LP, Zhao L, Wang HF, Morrone JA, Liu WP, Zhou RH |
| 1185 - 1194 |
Membrane Anchoring of alpha-Helical Proteins: Role of Tryptophan
Situ AJ, Kang SM, Frey BB, An W, Kim C, Ulmer TS |
| 1195 - 1204 |
Driving Structural Transitions in Molecular Simulations Using the Nonequilibrium Candidate Monte Carlo
Kurut A, Fonseca R, Boomsma W |
| 1205 - 1212 |
Imidazole Nitrogens of Two Histidine Residues Participating in N-H center dot center dot center dot N Hydrogen Bonds in Protein Structures: Structural Bioinformatics Approach Combined with Quantum Chemical Calculations
Iyer AH, Deepak RNVK, Sankararamakrishnan R |
| 1213 - 1222 |
Mechanism of Urea Crystal Dissolution in Water from Molecular Dynamics Simulation
Anand A, Patey GN |
| 1223 - 1227 |
Application of Classical Thermodynamics to Conductivity in Nonpolar Media: Experimental Confirmation
Gourdin-Bertin S, Chassagne C |
| 1228 - 1238 |
(H, Li)Br and LiOH Solvation Bonding Dynamics: Molecular Nonbond Interactions and Solute Extraordinary Capabilities
Sun CQ, Chen JS, Gong YY, Zhang X, Huang YL |
| 1239 - 1244 |
Dynamical Effects along the Bifurcation Pathway Control Semibullvalene Formation in Deazetization Reactions
Mandal N, Datta A |
| 1245 - 1254 |
First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water
Fetisov EO, Harwood DB, Kuo IFW, Warrag SEE, Kroon MC, Peters CJ, Siepmann JI |
| 1255 - 1260 |
Structural Origin of Shear Viscosity of Liquid Water
Yamaguchi T |
| 1261 - 1267 |
Glycerol Hydrogen-Bonding Network Dominates Structure and Collective Dynamics in a Deep Eutectic Solvent
Faraone A, Wagel DV, Baker GA, Novak EC, Ohl M, Reuter D, Lunkenheimer P, Loidl A, Mamontov E |
| 1268 - 1277 |
Coexistence of Kosmotropic and Chaotropic Impacts of Urea on Water As Revealed by Terahertz Spectroscopy
Shiraga K, Ogawa Y, Tanaka K, Arikawa T, Yoshikawa N, Nakamura M, Ajito K, Tajima T |
| 1278 - 1288 |
Predicting Hydride Donor Strength via Quantum Chemical Calculations of Hydride Transfer Activation Free Energy
Alherz A, Lim CH, Hynes JT, Musgrave CB |
| 1289 - 1295 |
Imaging Channel Connectivity in Nafion Using Electrostatic Force Microscopy
Barnes AM, Buratto SK |
| 1296 - 1305 |
Efficient Intramolecular Vibrational Excitonic Energy Transfer in Ru-3(CO)(12) Cluster Revealed by Two-Dimensional Infrared Spectroscopy
Dong XQ, Yang F, Zhao J, Wang JP |
| 1306 - 1314 |
Ring and Linear Copolymer Blends under Confinement
Shagolsem LS |
| 1315 - 1322 |
Reduction Mechanisms of Cu2+-Doped Na2O-Al2O3-SiO2 Glasses during Heating in H-2 Gas
Nogami M, Quang VX, Ohki S, Deguchi K, Shimizu T |
| 1323 - 1333 |
Multi-Fractional Analysis of Molecular Diffusion in Polymer Multilayers by FRAP: A New Simulation-Based Approach
Sustr D, Hlavacek A, Duschl C, Voloolkin D |
| 1334 - 1344 |
Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study
Sappidi P, Namsani S, Ali SM, Singh JK |
| 1345 - 1345 |
Determination of Equilibrium Constant and Relative Brightness in FRET-FCS by Including the Third-Order Correlations (vol 121, pg 11272, 2017)
Meng LY, He SS, Zhao XS |
