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Computational chemistry

Mitochondrial single-stranded DNA binding protein novel de novo SSBP1 mutation in a child with single large-scale mtDNA deletion (SLSMD) clinically manifesting as Pearson, Kearns-Sayre, and Leigh syndromes

Margaret A. Gustafson, Elizabeth M. McCormick, [ ... ], Marni J. Falk

Comparative in silico study of congocidine congeners as potential inhibitors of African swine fever virus

Dickson Kinyanyi, Peris Amwayi, Mark Wamalwa, George Obiero

Nanosecond pulsed electric signals can affect electrostatic environment of proteins below the threshold of conformational effects: The case study of SOD1 with a molecular simulation study

Elena della Valle, Paolo Marracino, [ ... ], Francesca Apollonio

In silico study of colchicine resistance molecular mechanisms caused by tubulin structural polymorphism

Harutyun Sahakyan, Narek Abelyan, [ ... ], Karen Nazaryan

Specific inter-domain interactions stabilize a compact HIV-1 Gag conformation

Chen Lin, Paola Mendoza-Espinosa, [ ... ], Robijn Bruinsma

Antihypertensive activity, toxicity and molecular docking study of newly synthesized xanthon derivatives (xanthonoxypropanolamine)

Omprakash Goshain, Bahar Ahmed

Triazoloquinazolines as a new class of potent α-glucosidase inhibitors: in vitro evaluation and docking study

Hatem A. Abuelizz, El Hassane Anouar, [ ... ], Rashad Al-Salahi

Identification of lysine methylation in the core GTPase domain by GoMADScan

Hirofumi Yoshino, Guowei Yin, [ ... ], Atsuo T. Sasaki

Cannabidiol binding and negative allosteric modulation at the cannabinoid type 1 receptor in the presence of delta-9-tetrahydrocannabinol: An In Silico study

Hery Chung, Angélica Fierro, C. David Pessoa-Mahana

A structural model of the human serotonin transporter in an outward-occluded state

Eva Hellsberg, Gerhard F. Ecker, Anna Stary-Weinzinger, Lucy R. Forrest

Anticancer compound XL765 as PI3K/mTOR dual inhibitor: A structural insight into the inhibitory mechanism using computational approaches

Mohd Rehan

In silico analysis of PFN1 related to amyotrophic lateral sclerosis

Gabriel Rodrigues Coutinho Pereira, Giovanni Henrique Almeida Silva Tellini, Joelma Freire De Mesquita

Molecular dynamics simulation of aluminium binding to amyloid-β and its effect on peptide structure

Matthew Turner, Shaun T. Mutter, Oliver D. Kennedy-Britten, James A. Platts

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