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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

published 05 Oct 2021

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

Van A. Ngo, Ramesh K. Jha

published 28 Sep 2021

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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, Taku Iwamoto, Kota Tsutsumi, Motonori Tsuji, Satoru Morishita, Kei Kurita, Yukio Yamamoto, Eiji Nishinaga, Keiichi Tsukinoki

published 17 Sep 2021

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

R. V. Sriram Uday, Rajdip Misra, Annaram Harika, Sandip Dolui, Achintya Saha, Uttam Pal, V. Ravichandiran, Nakul C. Maiti

published 10 Sep 2021

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

Joe G. Greener, David T. Jones

published 02 Sep 2021

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

Parker Elijah Joshua, Cynthia Ogochukwu Nwauzor, Damian Chukwu Odimegwu, Uzochukwu Gospel Ukachukwu, Rita Onyekachukwu Asomadu, Timothy Prince Chidike Ezeorba

published 23 Jul 2021

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

Bulat Faezov, Roland L. Dunbrack Jr.

published 06 Jul 2021

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

Van Son Nguyen, Silvia Spinelli, Éric Cascales, Alain Roussel, Christian Cambillau, Philippe Leone

published 02 Jul 2021

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

Joong-Youn Shim

published 28 Jun 2021

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

Lucas Kuhlen, Steven Johnson, Jerry Cao, Justin C. Deme, Susan M. Lea

published 18 Jun 2021

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

Satoshi Inouye, Yuto Sumida, Yuri Tomabechi, Jumpei Taguchi, Mikako Shirouzu, Takamitsu Hosoya

published 11 Jun 2021

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

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

published 03 Jun 2021

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

Ngoc Tam Lam, Ian Howard, Lei Cui

published 02 Jun 2021

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