| 3845 - 3854 |
TLmutation: Predicting the Effects of Mutations Using Transfer Learning
Shamsi Z, Chan M, Shukla D |
| 3855 - 3872 |
New Insights into Folding, Misfolding, and Nonfolding Dynamics of a WW Domain
Kachlishvili K, Korneev A, Maisuradze L, Liu J, Scheraga HA, Molochkov A, Senet P, Niemi AJ, Maisuradze GG |
| 3873 - 3891 |
Discovery of Self-Assembling pi-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
Shmilovich K, Mansbach RA, Sidky H, Dunne OE, Panda SS, Tovar JD, Ferguson AL |
| 3892 - 3902 |
Ultrasmall Gold Nanoparticles Coated with Zwitterionic Glutathione Monoethyl Ester: A Model Platform for the Incorporation of Functional Peptides
Knittel LL, Zhao HY, Nguyen A, Miranda A, Schuck P, Sousa AA |
| 3903 - 3908 |
Computational Investigation of APOBEC3H Substrate Orientation and Selectivity
Hix MA, Cisneros GA |
| 3909 - 3921 |
Microscopic Understanding of the Effect of Ionic Liquid on Protein from Molecular Simulation Studies
Ghanta KP, Pal T, Mondal S, Bandyopadhyay S |
| 3922 - 3930 |
Elucidating the Molecular Interactions between Uremic Toxins and the Sudlow II Binding Site of Human Serum Albumin
Smith J, Pfaendtner J |
| 3931 - 3935 |
Disulfide Chromophores Arise from Stereoelectronic Effects
Kilgore HR, Raines RT |
| 3936 - 3943 |
A Metastable Photoinduced Protein-Flavin Adduct in Choline Oxidase, an Enzyme Not Involved in Light-Dependent Processes
Su D, Smitherman C, Gadda G |
| 3944 - 3953 |
Dual Resolution Membrane Simulations Using Virtual Sites
Liu Y, De Vries AH, Barnoud J, Pezeshkian W, Melcr J, Marrink SJ |
| 3954 - 3961 |
Ordering and Nonideality of Air-Ionic Liquid Interfaces in Surface Second Harmonic Generation
Costa R, Pereira CM, Silva AF, Brevet PF, Benichou E |
| 3962 - 3972 |
Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations
McMillin PJ, Alegrete M, Peric M, Luchko T |
| 3973 - 3983 |
Mechanism and Kinetics of Palladium Nanoparticles Electrochemical Formation onto Glassy Carbon, from a Deep Eutectic Solvent (Reline)
Juarez-Marmolejo L, Maldonado-Teodocio B, De Oca-Yemha MGM, Romero-Romo M, Ramirez-Silva MT, Arce-Estrada EM, Morales-Gil P, Mostany J, Palomar-Pardave M |
| 3984 - 3991 |
Quantitative Investigation of Ion Clusters in a Double Salt Ionic Liquid by Both Vibrational Spectroscopy and Molecular Dynamics Simulation
Young T, Chen FF, Burba CM |
| 3992 - 4001 |
Vibronic Quantum Beating between Electronic Excited States in a Heterodimer
Freixas VM, Tretiak S, Makhov DV, Shalashilin DV, Fernandez-Alberti S |
| 4002 - 4009 |
Brillouin Spectroscopy as a Suitable Technique for the Determination of the Eutectic Composition in Mixtures of Choline Chloride and Water
Zhang H, Ferrer ML, Roldan-Ruiz MJ, Jimenez-Rioboo RJ, Gutierrez MC, del Monte F |
| 4010 - 4016 |
Proton Propensity and Orientation of Imidazolium Cation at Liquid Imidazole-Vacuum Interface: A Molecular Dynamics Simulation
Li AL, Yan TY |
