Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex von Bussiere, Dirksen E., Xie, Lili, Srinivas, Honnappa, Shu, Wei, Burke, Ashley, Be, Celine, Zhao, Junping, Godbole, Adarsh, King, Dan, Karki, Rajeshri G., Hornak, Viktor, Xu, Fangmin, Cobb, Jennifer, Carte, Nathalie, Frank, Andreas O., Frommlet, Alexandra, Graff, Patrick, Knapp, Mark, Fazal, Aleem, Okram, Barun, Jiang, Songchun, Michellys, Pierre-Yves, Beckwith, Rohan, Voshol, Hans, Wiesmann, Christian, Solomon, Jonathan M., Paulk, Joshiawa

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Hidden bias in the DUD-E dataset leads to misleading performance of deep learning in structure-based virtual screening von Chen, Lieyang, Cruz, Anthony, Ramsey, Steven, Dickson, Callum J, Duca, Jose S, Hornak, Viktor, Koes, David R, Kurtzman, Tom

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Structure–Kinetic Relationships of Passive Membrane Permeation from Multiscale Modeling von Dickson, Callum J, Hornak, Viktor, Pearlstein, Robert A, Duca, Jose S

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Calculating Kinetic Rates and Membrane Permeability from Biased Simulations von Badaoui, Magd, Kells, Adam, Molteni, Carla, Dickson, Callum J, Hornak, Viktor, Rosta, Edina

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Targeting structural flexibility in HIV-1 protease inhibitor binding von Hornak, Viktor, Simmerling, Carlos

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Contributions of the membrane dipole potential to the function of voltage-gated cation channels and modulation by small molecule potentiators von Pearlstein, Robert A., Dickson, Callum J., Hornak, Viktor

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Author Correction: Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex von Bussiere, Dirksen E., Xie, Lili, Srinivas, Honnappa, Shu, Wei, Burke, Ashley, Be, Celine, Zhao, Junping, Godbole, Adarsh, King, Dan, Karki, Rajeshri G., Hornak, Viktor, Xu, Fangmin, Cobb, Jennifer, Carte, Nathalie, Frank, Andreas O., Frommlet, Alexandra, Graff, Patrick, Knapp, Mark, Fazal, Aleem, Okram, Barun, Jiang, Songchun, Michellys, Pierre-Yves, Beckwith, Rohan, Voshol, Hans, Wiesmann, Christian, Solomon, Jonathan M., Paulk, Joshiawa

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Secondary Structure Bias in Generalized Born Solvent Models:  Comparison of Conformational Ensembles and Free Energy of Solvent Polarization from Explicit and Implicit Solvation von Roe, Daniel R, Okur, Asim, Wickstrom, Lauren, Hornak, Viktor, Simmerling, Carlos

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Location of Trp265 in Metarhodopsin II: Implications for the Activation Mechanism of the Visual Receptor Rhodopsin von Crocker, Evan, Eilers, Markus, Ahuja, Shivani, Hornak, Viktor, Hirshfeld, Amiram, Sheves, Mordechai, Smith, Steven O.

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Crystallographic Structure of the K Intermediate of Bacteriorhodopsin: Conservation of Free Energy after Photoisomerization of the Retinal von Schobert, Brigitte, Cupp-Vickery, Jill, Hornak, Viktor, Smith, Steven O., Lanyi, Janos K.

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The Open Structure of a Multi-Drug-Resistant HIV-1 Protease is Stabilized by Crystal Packing Contacts von Layten, Melinda, Hornak, Viktor, Simmerling, Carlos

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Comparison of Class A and D G Protein-Coupled Receptors:  Common Features in Structure and Activation von Eilers, Markus, Hornak, Viktor, Smith, Steven O, Konopka, James B

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Benchmarking In Silico Tools for Cysteine pK a Prediction von Awoonor-Williams, Ernest, Golosov, Andrei A., Hornak, Viktor

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The Unfolded State of the Villin Headpiece Helical Subdomain: Computational Studies of the Role of Locally Stabilized Structure von Wickstrom, Lauren, Okur, Asim, Song, Kun, Hornak, Viktor, Raleigh, Daniel P., Simmerling, Carlos L.

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Role of group-conserved residues in the helical core of β₂-adrenergic receptor von Chelikani, Prashen, Hornak, Viktor, Eilers, Markus, Reeves, Phillip J, Smith, Steven O, RajBhandary, Uttam L, Khorana, H. Gobind

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Relative Binding Free-Energy Calculations at Lipid-Exposed Sites: Deciphering Hot Spots von Dickson, Callum J, Hornak, Viktor, Duca, Jose S

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Benchmarking In Silico Tools for Cysteine p K a Prediction von Awoonor-Williams, Ernest, Golosov, Andrei A, Hornak, Viktor

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Combined Free-Energy Calculation and Machine Learning Methods for Understanding Ligand Unbinding Kinetics von Badaoui, Magd, Buigues, Pedro J., Berta, Dénes, Mandana, Gaurav M., Gu, Hankang, Földes, Tamás, Dickson, Callum J., Hornak, Viktor, Kato, Mitsunori, Molteni, Carla, Parsons, Simon, Rosta, Edina

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Comparison of Random Forest and Pipeline Pilot Naive Bayes in Prospective QSAR Predictions von BIN CHEN, SHERIDAN, Robert P, HORNAK, Viktor, VOIGT, Johannes H

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Reactivities of acrylamide warheads toward cysteine targets: a QM/ML approach to covalent inhibitor design von Danilack, Aaron D., Dickson, Callum J., Soylu, Cihan, Fortunato, Mike, Rodde, Stephane, Munkler, Hagen, Hornak, Viktor, Duca, Jose S.

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