N‐terminal β‐strand in YAP is critical for stronger binding to scalloped relative to TEAD transcription factor
Fedir, Bokhovchuk, Yannick, Mesrouze, Marco, Meyerhofer, Patrizia, Fontana, Catherine, Zimmermann, Frédéric, Villard, Dirk, Erdmann, Joerg, Kallen, Clemens, Scheufler, Camilo, Velez‐Vega, Patrick, Chène
Published in Protein science (01.01.2023)
Published in Protein science (01.01.2023)
Get full text
Journal Article
Revealing Molecular Determinants of hERG Blocker and Activator Binding
Dickson, Callum J, Velez-Vega, Camilo, Duca, Jose S
Published in Journal of chemical information and modeling (27.01.2020)
Published in Journal of chemical information and modeling (27.01.2020)
Get full text
Journal Article
Rational design of a new antibiotic class for drug-resistant infections
Durand-Reville, Thomas F., Miller, Alita A., O’Donnell, John P., Wu, Xiaoyun, Sylvester, Mark A., Guler, Satenig, Iyer, Ramkumar, Shapiro, Adam B., Carter, Nicole M., Velez-Vega, Camilo, Moussa, Samir H., McLeod, Sarah M., Chen, April, Tanudra, Angela M., Zhang, Jing, Comita-Prevoir, Janelle, Romero, Jan A., Huynh, Hoan, Ferguson, Andrew D., Horanyi, Peter S., Mayclin, Stephen J., Heine, Henry S., Drusano, George L., Cummings, Jason E., Slayden, Richard A., Tommasi, Ruben A.
Published in Nature (London) (30.09.2021)
Published in Nature (London) (30.09.2021)
Get full text
Journal Article
Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
Pavlova, Anna, Lynch, Diane L, Daidone, Isabella, Zanetti-Polzi, Laura, Smith, Micholas Dean, Chipot, Chris, Kneller, Daniel W, Kovalevsky, Andrey, Coates, Leighton, Golosov, Andrei A, Dickson, Callum J, Velez-Vega, Camilo, Duca, José S, Vermaas, Josh V, Pang, Yui Tik, Acharya, Atanu, Parks, Jerry M, Smith, Jeremy C, Gumbart, James C
Published in Chemical Science (28.01.2021)
Published in Chemical Science (28.01.2021)
Get full text
Journal Article
Web Resource
Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K‑Ras4B Dimer Stability
Andreadelis, Ioannis, Kiriakidi, Sofia, Lamprakis, Christos, Theodoropoulou, Anastasia, Doerr, Stefan, Chatzigoulas, Alexios, Manchester, John, Velez-Vega, Camilo, Duca, José S, Cournia, Zoe
Published in The journal of physical chemistry. B (24.02.2022)
Published in The journal of physical chemistry. B (24.02.2022)
Get full text
Journal Article
Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen–Hydrogen Correlations
Velez-Vega, Camilo, McKay, Daniel J. J, Kurtzman, Tom, Aravamuthan, Vibhas, Pearlstein, Robert A, Duca, José S
Published in Journal of chemical theory and computation (10.11.2015)
Published in Journal of chemical theory and computation (10.11.2015)
Get full text
Journal Article
Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology
Pearlstein, Robert A, McKay, Daniel J J, Hornak, Viktor, Dickson, Callum, Golosov, Andrei, Harrison, Tyler, Velez-Vega, Camilo, Duca, José
Published in Current topics in medicinal chemistry (01.01.2017)
Published in Current topics in medicinal chemistry (01.01.2017)
Get more information
Journal Article
박테리아 감염을 치료하는 화합물 및 방법
COMITA PREVOIR JANELLE, GULER SATENIG, DURAND REVILLE THOMAS FRANCOIS, TOMMASI RUBEN, SYLVESTER MARK, ROMERO JAN, WU XIAOYUN, VELEZ VEGA CAMILO, ZHANG JING
Year of Publication 15.01.2020
Get full text
Year of Publication 15.01.2020
Patent
Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments
Lamprakis, Christos, Andreadelis, Ioannis, Manchester, John, Velez-Vega, Camilo, Duca, José S, Cournia, Zoe
Published in Journal of chemical theory and computation (11.05.2021)
Published in Journal of chemical theory and computation (11.05.2021)
Get full text
Journal Article
Structure of the MRAS–SHOC2–PP1C phosphatase complex
Hauseman, Zachary J., Fodor, Michelle, Dhembi, Anxhela, Viscomi, Jessica, Egli, David, Bleu, Melusine, Katz, Stephanie, Park, Eunyoung, Jang, Dong Man, Porter, Kathryn A., Meili, Fabian, Guo, Hongqiu, Kerr, Grainne, Mollé, Sandra, Velez-Vega, Camilo, Beyer, Kim S., Galli, Giorgio G., Maira, Saveur-Michel, Stams, Travis, Clark, Kirk, Eck, Michael J., Tordella, Luca, Thoma, Claudio R., King, Daniel A.
Published in Nature (London) (08.09.2022)
Published in Nature (London) (08.09.2022)
Get full text
Journal Article
Martini 3 Force Field Parameters for Protein Lipidation Post-Translational Modifications
Koukos, Panagiotis I., Dehghani-Ghahnaviyeh, Sepehr, Velez-Vega, Camilo, Manchester, John, Tieleman, D. Peter, Duca, José S., Souza, Paulo C. T., Cournia, Zoe
Published in Journal of chemical theory and computation (12.12.2023)
Published in Journal of chemical theory and computation (12.12.2023)
Get full text
Journal Article
ETX2514 is a broad-spectrum β-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii
Durand-Réville, Thomas F., Guler, Satenig, Comita-Prevoir, Janelle, Chen, Brendan, Bifulco, Neil, Huynh, Hoan, Lahiri, Sushmita, Shapiro, Adam B., McLeod, Sarah M., Carter, Nicole M., Moussa, Samir H., Velez-Vega, Camilo, Olivier, Nelson B., McLaughlin, Robert, Gao, Ning, Thresher, Jason, Palmer, Tiffany, Andrews, Beth, Giacobbe, Robert A., Newman, Joseph V., Ehmann, David E., de Jonge, Boudewijn, O'Donnell, John, Mueller, John P., Tommasi, Rubén A., Miller, Alita A.
Published in Nature microbiology (30.06.2017)
Published in Nature microbiology (30.06.2017)
Get full text
Journal Article
Characterizing the Structural Behavior of Selected Aβ-42 Monomers with Different Solubilities
Velez-Vega, Camilo, Escobedo, Fernando A
Published in The journal of physical chemistry. B (05.05.2011)
Published in The journal of physical chemistry. B (05.05.2011)
Get full text
Journal Article
Uncoupling the Structure–Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding
Dickson, Callum J, Hornak, Viktor, Velez-Vega, Camilo, McKay, Daniel J. J, Reilly, John, Sandham, David A, Shaw, Duncan, Fairhurst, Robin A, Charlton, Steven J, Sykes, David A, Pearlstein, Robert A, Duca, Jose S
Published in Journal of medicinal chemistry (23.06.2016)
Published in Journal of medicinal chemistry (23.06.2016)
Get full text
Journal Article
Force and Stress along Simulated Dissociation Pathways of Cucurbituril–Guest Systems
Velez-Vega, Camilo, Gilson, Michael K
Published in Journal of chemical theory and computation (13.03.2012)
Published in Journal of chemical theory and computation (13.03.2012)
Get full text
Journal Article
Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations
Velez-Vega, Camilo, Borrero, Ernesto E, Escobedo, Fernando A
Published in The Journal of chemical physics (14.09.2010)
Published in The Journal of chemical physics (14.09.2010)
Get more information
Journal Article