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Results for
""Pepstatins""[mesh_terms]

8 Results

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Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.

Serghei Glinca, Phillip Galonska, Janis Müller, Oscar Palomino-Hernández, Helge Vatheuer, Paul Czodrowski

ChemMedChem 2025;20(8):e202400953

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Very fast prediction and rationalization of pKa values for protein-ligand complexes.

Jan H Jensen, Delphine C Bas, David M Rogers

Proteins 2008;73(3):765-83

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Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site.

D Sebastiani, S Piana, M Parrinello, P Carloni

Journal of the American Chemical Society 2001;123(36):8730-7

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Small molecule regulation of protein conformation by binding in the Flap of HIV protease.

Theresa Tiefenbrunn, Stefano Forli, Michael M Baksh, Max W Chang, Meaghan Happer, Ying-Chuan Lin, Alexander L Perryman, Jin-Kyu Rhee, Bruce E Torbett, Arthur J Olson, John H Elder, M G Finn, C David Stout

ACS chemical biology 2014;8(6):1223-31

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Structural rationale for the recognition of arginine at P₃ in PEXEL motif containing proteins of Plasmodium falciparum by plasmepsin V.

Lalitha Guruprasad, Karunakar Tanneeru, Kunchur Guruprasad

Protein and peptide letters 2011;18(6):634-41

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Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes.

Emil Alexov

Proteins 2004;56(3):572-84

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Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.

Jiří Dostál, Adam Pecina, Olga Hrušková-Heidingsfeldová, Lucie Marečková, Iva Pichová, Pavlina Řezáčová, Martin Lepšík, Jiří Brynda

Acta crystallographica. Section D, Biological crystallography 2016;71(Pt 12):2494-504

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Shewasin A, an active pepsin homolog from the bacterium Shewanella amazonensis.

Isaura Simões, Rosário Faro, Daniel Bur, John Kay, Carlos Faro

The FEBS journal 2011;278(17):3177-86

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Results: 1 – 8 / 8

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Results for ""Pepstatins""[mesh_terms]

Protonation Effects in Protein-Ligand Complexes - A Case Study of Endothiapepsin and Pepstatin A with Computational and Experimental Methods.

Very fast prediction and rationalization of pKa values for protein-ligand complexes.

Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site.

Small molecule regulation of protein conformation by binding in the Flap of HIV protease.

Structural rationale for the recognition of arginine at P₃ in PEXEL motif containing proteins of Plasmodium falciparum by plasmepsin V.

Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes.

Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis.

Shewasin A, an active pepsin homolog from the bacterium Shewanella amazonensis.

Results for
""Pepstatins""[mesh_terms]