The Shape of Native Plant Cellulose Microfibrils by Kubicki, James D, Yang, Hui, Sawada, Daisuke, O'Neill, Hugh, Oehme, Daniel, Cosgrove, Daniel

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Better force fields start with better data: A data set of cation dipeptide interactions by Hu, Xiaojuan, Lenz-Himmer, Maja-Olivia, Baldauf, Carsten

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Molecular Structure and Dynamics of Water on Pristine and Strained Phosphorene: Wetting and Diffusion at Nanoscale by Zhang, Wei, Ye, Chao, Hong, Linbi, Yang, Zaixing, Zhou, Ruhong

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Amino Acid Chiral Selection Via Weak Interactions in Stellar Environments: Implications for the Origin of Life by Famiano, Michael A, Boyd, Richard N, Kajino, Toshitaka, Onaka, Takashi, Mo, Yirong

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The molecular photo-cell: quantum transport and energy conversion at strong non-equilibrium by Ajisaka, Shigeru, Žunkovič, Bojan, Dubi, Yonatan

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Proposal for universality in the viscosity of metallic liquids by Blodgett, M E, Egami, T, Nussinov, Z, Kelton, K F

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Cellular absorption of small molecules: free energy landscapes of melatonin binding at phospholipid membranes by Lu, Huixia, Marti, Jordi

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Mechanistic correlation between water infiltration and framework hydrophilicity in MFI zeolites by Fasano, Matteo, Bevilacqua, Alessio, Chiavazzo, Eliodoro, Humplik, Thomas, Asinari, Pietro

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Systematic Dimensionality Reduction for Quantum Walks: Optimal Spatial Search and Transport on Non-Regular Graphs by Novo, Leonardo, Chakraborty, Shantanav, Mohseni, Masoud, Neven, Hartmut, Omar, Yasser

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Polymer translocation through nano-pores in vibrating thin membranes by Menais, Timothée, Mossa, Stefano, Buhot, Arnaud

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The structural model of Zika virus RNA-dependent RNA polymerase in complex with RNA for rational design of novel nucleotide inhibitors by Šebera, Jakub, Dubankova, Anna, Sychrovský, Vladimír, Ruzek, Daniel, Boura, Evzen, Nencka, Radim

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Stabilities and novel electronic structures of three carbon nitride bilayers by Lin, Wanxing, Liang, Shi-Dong, He, Chunshan, Xie, Wucheng, He, Haiying, Mai, Quanxiang, Li, Jiesen, Yao, Dao-Xin

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Temperature-induced oligomerization of polycyclic aromatic hydrocarbons at ambient and high pressures by Chanyshev, Artem D, Litasov, Konstantin D, Furukawa, Yoshihiro, Kokh, Konstantin A, Shatskiy, Anton F

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Molecular Mechanism of Resveratrol's Lipid Membrane Protection by Fei, Qinqin, Kent, David, Botello-Smith, Wesley M, Nur, Fariah, Nur, Saadia, Alsamarah, Abdelaziz, Chatterjee, Payal, Lambros, Maria, Luo, Yun

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Neural network interpolation of exchange-correlation functional by Ryabov, Alexander, Akhatov, Iskander, Zhilyaev, Petr

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Mechanistic insights into the deleterious roles of Nasu-Hakola disease associated TREM2 variants by Dash, Raju, Choi, Ho Jin, Moon, Il Soo

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The free energy landscape of the oncogene protein E7 of human papillomavirus type 16 reveals a complex interplay between ordered and disordered regions by Kukic, Predrag, Lo Piccolo, Giuseppe Mattia, Nogueira, Marcela O, Svergun, Dmitri I, Vendruscolo, Michele, Felli, Isabella C, Pierattelli, Roberta

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Neutral excitation density-functional theory: an efficient and variational first-principles method for simulating neutral excitations in molecules by Roychoudhury, Subhayan, Sanvito, Stefano, O'Regan, David D

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A size-dependent structural evolution of ZnS nanoparticles by Khalkhali, Mohammad, Liu, Qingxia, Zeng, Hongbo, Zhang, Hao

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Stochastic kinetics reveal imperative role of anisotropic interfacial tension to determine morphology and evolution of nucleated droplets in nematogenic films by Bhattacharjee, Amit Kumar

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