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Salt bridges

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

Van A. Ngo, Ramesh K. Jha

iBRAB: In silico based-designed broad-spectrum Fab against H1N1 influenza A virus

Phuc-Chau Do, Trung H. Nguyen, Uyen H. M. Vo, Ly Le

αIIbβ3 variants in ten families with autosomal dominant macrothrombocytopenia: Expanding the mutational and clinical spectrum

Sara Morais, Jorge Oliveira, [ ... ], Margarida Lima

The role of disulfide bonds in a Solanum tuberosum saposin-like protein investigated using molecular dynamics

John H. Dupuis, Shenlin Wang, Chen Song, Rickey Y. Yada

Molecular interactions between monoclonal oligomer-specific antibody 5E3 and its amyloid beta cognates

Massih Khorvash, Nick Blinov, [ ... ], Neil R. Cashman

Crystal structure of Thermus thermophilus methylenetetrahydrofolate dehydrogenase and determinants of thermostability

Fernando Maiello, Gloria Gallo, [ ... ], Martin Würtele

Systematic analysis of the binding behaviour of UHRF1 towards different methyl- and carboxylcytosine modification patterns at CpG dyads

Markus Schneider, Carina Trummer, [ ... ], Iris Antes

Fragment-based design of small molecule PCSK9 inhibitors using simulated annealing of chemical potential simulations

Frank Guarnieri, John L. Kulp Jr., John L. Kulp III, Ian S. Cloudsdale

Phosphorylation-dependent activity-based conformational changes in P21-activated kinase family members and screening of novel ATP competitive inhibitors

Mehreen Gul, Muhammad Fakhar, Najumuddin, Sajid Rashid

Structural characterization of EGFR exon 19 deletion mutation using molecular dynamics simulation

Mahlet Z. Tamirat, Marika Koivu, Klaus Elenius, Mark S. Johnson

Red light-promoted skin barrier recovery: Spatiotemporal evaluation by transepidermal potential

Yuina Abe, Hajime Konno, [ ... ], Matsuhiko Nishizawa

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

A novel thermostable and halophilic thioredoxin reductase from the Red Sea Atlantis II hot brine pool

Elham A. Badiea, Ahmed A. Sayed, [ ... ], Amr Y. Esmat

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