Below are the most recent publications written about "HIV Protease" by people in Profiles.
-
Nachum GS, Boucher JI, Flynn JM, Quansah P, Nachum S, Bolon DNA. Mutational scan of self-cleavage by HIV-1 protease provides new views of a conformationally dynamic mechanism. J Virol. 2026 Apr 21; 100(4):e0222925.
-
Kaur J, Spielvogel E, Nageswara Rao D, Rusere LN, Shaqra AM, Lockbaum GJ, Maryam A, Yilmaz NK, Swanstrom R, Schiffer CA, Ali A. Fluorinated HIV-1 protease inhibitors containing chiral hydroxyethylbenzene and indanol as P2' ligands with potent activity against drug-resistant variants. Eur J Med Chem. 2026 Feb 15; 304:118510.
-
Intravaia LE, Shaqra AM, Pirhadi S, Popko N, Kurt Yilmaz N, Schiffer CA. Predicting the Impact of Drug Resistance Mutations on Inhibitor Potency with Molecular Dynamics and Machine Learning. J Phys Chem B. 2025 10 30; 129(43):11128-11140.
-
Lockbaum GJ, Rusere LN, Henes M, Kosovrasti K, Rao DN, Spielvogel E, Lee SK, Nalivaika EA, Swanstrom R, Yilmaz NK, Schiffer CA, Ali A. HIV-1 protease inhibitors with a P1 phosphonate modification maintain potency against drug-resistant variants by increased interactions with flap residues. Eur J Med Chem. 2023 Sep 05; 257:115501.
-
Samant N, Nachum G, Tsepal T, Bolon DNA. Sequence dependencies and biophysical features both govern cleavage of diverse cut-sites by HIV protease. Protein Sci. 2022 07; 31(7):e4366.
-
Leidner F, Kurt Yilmaz N, Schiffer CA. Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning. J Chem Theory Comput. 2021 Apr 13; 17(4):2054-2064.
-
Rusere LN, Lockbaum GJ, Henes M, Lee SK, Spielvogel E, Rao DN, Kosovrasti K, Nalivaika EA, Swanstrom R, Kurt Yilmaz N, Schiffer CA, Ali A. Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J Med Chem. 2020 08 13; 63(15):8296-8313.
-
Whitfield TW, Ragland DA, Zeldovich KB, Schiffer CA. Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease. J Chem Theory Comput. 2020 Feb 11; 16(2):1284-1299.
-
Rusere LN, Lockbaum GJ, Lee SK, Henes M, Kosovrasti K, Spielvogel E, Nalivaika EA, Swanstrom R, Yilmaz NK, Schiffer CA, Ali A. HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope. J Med Chem. 2019 09 12; 62(17):8062-8079.
-
Henes M, Kosovrasti K, Lockbaum GJ, Leidner F, Nachum GS, Nalivaika EA, Bolon DNA, Kurt Yilmaz N, Schiffer CA, Whitfield TW. Molecular Determinants of Epistasis in HIV-1 Protease: Elucidating the Interdependence of L89V and L90M Mutations in Resistance. Biochemistry. 2019 09 03; 58(35):3711-3726.