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Crystal structure

Identifying key determinants and dynamics of SARS-CoV-2/ACE2 tight interaction

Van A. Ngo, Ramesh K. Jha

The inhibitory effects of toothpaste and mouthwash ingredients on the interaction between the SARS-CoV-2 spike protein and ACE2, and the protease activity of TMPRSS2 in vitro

Riho Tateyama-Makino, Mari Abe-Yutori, [ ... ], Keiichi Tsukinoki

Dabrafenib, idelalisib and nintedanib act as significant allosteric modulator for dengue NS3 protease

R. V. Sriram Uday, Rajdip Misra, [ ... ], Nakul C. Maiti

Differentiable molecular simulation can learn all the parameters in a coarse-grained force field for proteins

Joe G. Greener, David T. Jones

Experimental and molecular predictions of the adjuvanticity of snail mucin on hepatitis B vaccine in albino mice

Parker Elijah Joshua, Cynthia Ogochukwu Nwauzor, [ ... ], Timothy Prince Chidike Ezeorba

PDBrenum: A webserver and program providing Protein Data Bank files renumbered according to their UniProt sequences

Bulat Faezov, Roland L. Dunbrack Jr.

Anchoring the T6SS to the cell wall: Crystal structure of the peptidoglycan binding domain of the TagL accessory protein

Van Son Nguyen, Silvia Spinelli, [ ... ], Philippe Leone

Prediction of essential binding domains for the endocannabinoid N-arachidonoylethanolamine (AEA) in the brain cannabinoid CB1 receptor

Joong-Youn Shim

Nonameric structures of the cytoplasmic domain of FlhA and SctV in the context of the full-length protein

Lucas Kuhlen, Steven Johnson, [ ... ], Susan M. Lea

Chiral deaza-coelenterazine analogs for probing a substrate-binding site in the Ca²⁺-binding photoprotein aequorin

Satoshi Inouye, Yuto Sumida, [ ... ], Takamitsu Hosoya

Inhibition of CMP-sialic acid transport by endogenous 5-methyl CMP

Shivani Ahuja, James Cahill, Kimberly Hartfield, Matthew R. Whorton

Path planning for the Platonic solids on prescribed grids by edge-rolling

Ngoc Tam Lam, Ian Howard, Lei Cui

Structure elucidation and docking analysis of 5M mutant of T1 lipase Geobacillus zalihae

Siti Nor Hasmah Ishak, Nor Hafizah Ahmad Kamarudin, [ ... ], Raja Noor Zaliha Raja Abd Rahman

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