Ahmad Y Sheikh

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 18

Top Topics

Molecular Dynamics Simulations

Decision Making

Crystal Structure

Top Venues

Molecular pharmaceutics

Journal of chemical theory and computation

Proceedings of the National Academy of Sciences of the United States of America

This page only lists publications with an associated author ORCID identifier.

Publications

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael R Shirts, Matteo Salvalaglio
Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from Reweighted Flow-Based Probabilistic Generative Models. Journal of chemical theory and computation 20 (14) (2024)
Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael R Shirts, Matteo Salvalaglio
Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from Reweighted Flow-Based Probabilistic Generative Models. Journal of chemical theory and computation 20 (14) (2024)
Chang Wang, Cai Y Ma, Richard S Hong, Thomas D Turner, Ian Rosbottom, Ahmad Y Sheikh, Qiuxiang Yin, Kevin J Roberts
Influence of Solvent Selection on the Crystallizability and Polymorphic Selectivity Associated with the Formation of the "Disappeared" Form I Polymorph of Ritonavir. Molecular pharmaceutics 21 (7) (2024)
Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael R Shirts, Matteo Salvalaglio
Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from Reweighted Flow-Based Probabilistic Generative Models. Journal of chemical theory and computation 20 (14) (2024)
Chang Wang, Cai Y Ma, Richard S Hong, Thomas D Turner, Ian Rosbottom, Ahmad Y Sheikh, Qiuxiang Yin, Kevin J Roberts
Influence of Solvent Selection on the Crystallizability and Polymorphic Selectivity Associated with the Formation of the "Disappeared" Form I Polymorph of Ritonavir. Molecular pharmaceutics 21 (7) (2024)
Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Y Sheikh, Michael R Shirts, Matteo Salvalaglio
Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from Reweighted Flow-Based Probabilistic Generative Models. Journal of chemical theory and computation (2024)
Chang Wang, Cai Y Ma, Richard S Hong, Thomas D Turner, Ian Rosbottom, Ahmad Y Sheikh, Qiuxiang Yin, Kevin J Roberts
Influence of Solvent Selection on the Crystallizability and Polymorphic Selectivity Associated with the Formation of the "Disappeared" Form I Polymorph of Ritonavir. Molecular pharmaceutics (2024)
Chang Wang, Cai Y Ma, Richard S Hong, Thomas D Turner, Ian Rosbottom, Ahmad Y Sheikh, Qiuxiang Yin, Kevin J Roberts
Influence of Solvent Selection on the Crystallizability and Polymorphic Selectivity Associated with the Formation of the "Disappeared" Form I Polymorph of Ritonavir. Molecular pharmaceutics 21 (7) (2024)
Richard S Hong, Ana V Rojas, Rajni Miglani Bhardwaj, Lingle Wang, Alessandra Mattei, Nathan S Abraham, Kevin P Cusack, M Olivia Pierce, Sayan Mondal, Nada Mehio, Shailendra Bordawekar, Philip R Kym, Robert Abel, Ahmad Y Sheikh
Free Energy Perturbation Approach for Accurate Crystalline Aqueous Solubility Predictions. Journal of medicinal chemistry (2023)
Dzmitry Firaha, Yifei Michelle Liu, Jacco van de Streek, Kiran Sasikumar, Hanno Dietrich, Julian Helfferich, Luc Aerts, Doris E Braun, Anders Broo, Antonio G DiPasquale, Alfred Y Lee, Sarah Le Meur, Sten O Nilsson Lill, Walter J Lunsmann, Alessandra Mattei, Pierandrea Muglia, Okky Dwichandra Putra, Mohamed Raoui, Susan M Reutzel-Edens, Sandrine Rome, Ahmad Y Sheikh, Alexandre Tkatchenko, Grahame R Woollam, Marcus A Neumann
Predicting crystal form stability under real-world conditions. Nature 623 (7986) (2023)
Richard Hong, Haichen Nie, Rodger F Henry, Sean M Garner, Nathaniel D Catron, Russell L Hertzler, Andrew J Souers, Ahmad Y Sheikh, Shuang Chen
Pharmaceutical Development Challenges in a Beyond Rule of Five Prodrug: Case Study of ABBV-167, Phosphate Prodrug of Venetoclax. Molecular pharmaceutics (2023)
Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh, Mark E Tuckerman
A data-driven and topological mapping approach for the a priori prediction of stable molecular crystalline hydrates. Proceedings of the National Academy of Sciences of the United States of America 119 (43) (2022)
Shuang Chen, Yi Gao, Xiaochun Lou, Rodger F Henry, DeAnne F Stolarik, Maya P Lipert, Ahmad Y Sheikh, Geoff G Z Zhang
Overcoming Bioavailability Challenges of Dasabuvir and Enabling a Triple-Combination Direct-Acting Antiviral HCV Regimen through a Salt of Very Weak Acid for Oral Delivery. Molecular pharmaceutics 19 (7) (2022)
Alessandra Mattei, Richard S Hong, Hanno Dietrich, Dzmitry Firaha, Julian Helfferich, Yifei Michelle Liu, Kiran Sasikumar, Nathan S Abraham, Rajni Miglani Bhardwaj, Marcus A Neumann, Ahmad Y Sheikh
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force Fields. Journal of chemical theory and computation 18 (9) (2022)
Ahmad Y Sheikh, Alessandra Mattei, Rajni Miglani Bhardwaj, Richard S Hong, Nathan S Abraham, Gabriela Schneider-Rauber, Kenneth M Engstrom, Moiz Diwan, Rodger F Henry, Yi Gao, Vivian Juarez, Erin Jordan, David A DeGoey, Charles W Hutchins
Implications of the Conformationally Flexible, Macrocyclic Structure of the First-Generation, Direct-Acting Anti-Viral Paritaprevir on Its Solid Form Complexity and Chameleonic Behavior. Journal of the American Chemical Society 143 (42) (2021)
Gabriela Schneider-Rauber, Mihails Arhangelskis, Wei-Pin Goh, James Cattle, Nicole Hondow, Rik Drummond-Brydson, Mojtaba Ghadiri, Kushal Sinha, Raimundo Ho, Nandkishor K Nere, Shailendra Bordawekar, Ahmad Y Sheikh, William Jones
Understanding stress-induced disorder and breakage in organic crystals: beyond crystal structure anisotropy. Chemical science 12 (42) (2021)
Ahmed Hamed Salem, Zhi-Fu Tao, Orlando F Bueno, Jie Chen, Shuang Chen, Rohinton Edalji, Steven W Elmore, Keith M Fournier, Kaid C Harper, Richard Hong, Gary J Jenkins, Jianguo Ji, Russell A Judge, John C Kalvass, Russell C Klix, Yi-Yin Ku, Joel D Leverson, Richard A Marks, Kennan C Marsh, Rajeev M Menon, Chang H Park, Darren C Phillips, Yu-Ming Pu, Saul H Rosenberg, Yeshwant D Sanzgiri, Ahmad Y Sheikh, Yi Shi, Deanne Stolarik, Ahmed A Suleiman, Xilu Wang, Geoff G Z Zhang, Nathaniel D Catron, Andrew J Souers
Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers. Molecular cancer therapeutics 20 (6) (2021)
Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh, Rajni Miglani Bhardwaj, Michael A Bellucci, Keith F McDaniel, M Olivia Pierce, Guangxu Sun, Sizhu Li, Lingle Wang, Sayan Mondal, Jianguo Ji, Thomas B Borchardt
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series. Journal of chemical information and modeling 61 (3) (2021)