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Crystal structure

The mechanism of complex formation between calmodulin and voltage gated calcium channels revealed by molecular dynamics

Shivani Yaduvanshi, Rya Ero, Veerendra Kumar

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

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