F. Leidner

发表

Deciphering complex mechanisms of resistance and loss of potency through coupled molecular dynamics and machine learning

C. Schiffer, N. K. Yilmaz, F. Leidner, 2020, bioRxiv.

pM to µM - Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance.

Shuntai Zhou, C. Schiffer, D. Bolon, 2019, ACS chemical biology.

Structural Adaptation of Darunavir Analogs Against Primary Resistance Mutations in HIV-1 Protease

C. Schiffer, E. Nalivaika, Akbar Ali, 2018, bioRxiv.

Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV ‑ 1 Protease in Conferring Drug Resistance

D. Bolon, R. Swanstrom, E. Nalivaika, 2019 .

Drug Design Strategies to Avoid Resistance in Direct-Acting Antivirals and Beyond.

C. Schiffer, E. Nalivaika, Akbar Ali, 2021, Chemical reviews.

Molecular and structural mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir [preprint]

C. Schiffer, Akbar Ali, M. Henes, 2020 .

Molecular and structural mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir

C. Schiffer, Akbar Ali, Nese Kurt-Yilmaz, 2019, bioRxiv.

Molecular Mechanism of Resistance in a Clinically Significant Double-Mutant Variant of HCV NS3/4A Protease.

C. Schiffer, C. Petropoulos, Wei Huang, 2018, Structure.

Interdependence of Inhibitor Recognition in HIV-1 Protease

C. Schiffer, Debra A. Ragland, J. Paulsen, 2017, Journal of chemical theory and computation.

Target-Specific Prediction of Ligand Affinity with Structure-Based Interaction Fingerprints

Florian Leidner, Nese Kurt Yilmaz, Celia A. Schiffer, 2019, J. Chem. Inf. Model..

Deciphering Complex Mechanisms of Resistance and Loss of Potency through Coupled Molecular Dynamics and Machine Learning.

C. Schiffer, Nese Kurt Yilmaz, F. Leidner, 2021, Journal of chemical theory and computation.

Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease.

C. Schiffer, Y. Muller, J. Paulsen, 2018, Journal of chemical theory and computation.

Deciphering Antifungal Drug Resistance in Pneumocystis jirovecii DHFR with Molecular Dynamics and Machine Learning

Florian Leidner, Nese Kurt Yilmaz, Celia A. Schiffer, 2021, J. Chem. Inf. Model..

Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.

C. Schiffer, E. Nalivaika, Akbar Ali, 2018, ACS infectious diseases.

Structural analysis of the active site and DNA binding of human cytidine deaminase APOBEC3B

C. Schiffer, H. Matsuo, E. Nalivaika, 2018, bioRxiv.

Optimizing the refinement of merohedrally twinned P61 HIV-1 protease-inhibitor cocrystal structures.

C. Schiffer, W. Royer, Nese Kurt Yilmaz, 2020, Acta crystallographica. Section D, Structural biology.

Molecular determinants of epistasis in HIV-1 protease: Elucidating the interdependence of L89V and L90M mutations in resistance.

C. Schiffer, D. Bolon, T. Whitfield, 2019, Biochemistry.

Molecular and structural mechanism of pan-genotypic HCV NS3/ Molecular and structural mechanism of pan-genotypic HCV NS3/ 4A protease inhibition by glecaprevir [preprint] 4A protease inhibition by glecaprevir [preprint] us you.

C. Schiffer, Akbar Ali, M. Henes, 2022 .