Benchmarking In Silico Tools for Cysteine pKa Prediction
Awoonor-Williams, Ernest, Golosov, Andrei A, Hornak, Viktor
Published in Journal of chemical information and modeling (10.04.2023)
Published in Journal of chemical information and modeling (10.04.2023)
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Journal Article
Benchmarking In Silico Tools for Cysteine p K a Prediction
Awoonor-Williams, Ernest, Golosov, Andrei A, Hornak, Viktor
Published in Journal of chemical information and modeling (10.04.2023)
Published in Journal of chemical information and modeling (10.04.2023)
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Journal Article
Leveraging Advanced In Silico Techniques in Early Drug Discovery: A Study of Potent Small-Molecule YAP-TEAD PPI Disruptors
Awoonor-Williams, Ernest, Dickson, Callum J., Furet, Pascal, Golosov, Andrei A., Hornak, Viktor
Published in Journal of chemical information and modeling (24.04.2023)
Published in Journal of chemical information and modeling (24.04.2023)
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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)
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Journal Article
Web Resource
Identification of a PCSK9-LDLR disruptor peptide with in vivo function
Brousseau, Margaret E., Clairmont, Kevin B., Spraggon, Glen, Flyer, Alec N., Golosov, Andrei A., Grosche, Philipp, Amin, Jakal, Andre, Jerome, Burdick, Debra, Caplan, Shari, Chen, Guanjing, Chopra, Raj, Ames, Lisa, Dubiel, Diana, Fan, Li, Gattlen, Raphael, Kelly-Sullivan, Dawn, Koch, Alexander W., Lewis, Ian, Li, Jingzhou, Liu, Eugene, Lubicka, Danuta, Marzinzik, Andreas, Nakajima, Katsumasa, Nettleton, David, Ottl, Johannes, Pan, Meihui, Patel, Tajesh, Perry, Lauren, Pickett, Stephanie, Poirier, Jennifer, Reid, Patrick C., Pelle, Xavier, Seepersaud, Mohindra, Subramanian, Vanitha, Vera, Victoria, Xu, Mei, Yang, Lihua, Yang, Qing, Yu, Jinghua, Zhu, Guoming, Monovich, Lauren G.
Published in Cell chemical biology (17.02.2022)
Published in Cell chemical biology (17.02.2022)
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Journal Article
Design of Thioether Cyclic Peptide Scaffolds with Passive Permeability and Oral Exposure
Golosov, Andrei A, Flyer, Alec N, Amin, Jakal, Babu, Charles, Gampe, Christian, Li, Jingzhou, Liu, Eugene, Nakajima, Katsumasa, Nettleton, David, Patel, Tajesh J, Reid, Patrick C, Yang, Lihua, Monovich, Lauren G
Published in Journal of medicinal chemistry (11.03.2021)
Published in Journal of medicinal chemistry (11.03.2021)
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Journal Article
Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9
Grosche, Philipp, Flyer, Alec N, Gattlen, Raphael, Xu, Mei, Golosov, Andrei A, Vera, Victoria, Pickett, Stephanie, Brousseau, Margaret E, Chopra, Rajiv, Clairmont, Kevin B, Koch, Alexander, Liu, Eugene, Reid, Patrick, Perry, Lauren, Yang, Lihua, Yang, Qing, Monovich, Lauren G
Published in ChemMedChem (22.10.2024)
Published in ChemMedChem (22.10.2024)
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Journal Article
Assessment and control of geodynamical risks under the conditions of a rock-bump hazardous complex deposit
Rasskazov, Igor, Sidlyar, Alexander, Tereshkin, Andrei, Golosov, Andrei
Published in E3S Web of Conferences (01.01.2020)
Published in E3S Web of Conferences (01.01.2020)
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Journal Article
Conference Proceeding
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)
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Journal Article
Benchmarking In Silico Tools for Cysteine pK a Prediction
Awoonor-Williams, Ernest, Golosov, Andrei A., Hornak, Viktor
Published in Journal of chemical information and modeling (10.04.2023)
Published in Journal of chemical information and modeling (10.04.2023)
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 bioRxiv (10.09.2020)
Published in bioRxiv (10.09.2020)
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Journal Article
Paper
Abstract 10516: Identification of a PCSK9-LDLR Disruptor Macrocycle with in vivo Function
Brousseau, Margaret E, Clairmont, Kevin B, Spraggon, Glen, Flyer, Alec N, Golosov, Andrei A, Grosche, Philipp, André, Jérôme, Caplan, Shari, Chen, Guanjing, Fan, Li, Gattlen, Raphael, Koch, Alexander, Lewis, Ian, Li, Jingzhou, Liu, Eugene, Lubicka, Danuta, Marzinzik, Andreas, Nakajima, Katsumasa, Nettleton, David, Ottl, Johannes, Pan, Meihui, Patel, Tajesh, Pickett, Stephanie, Poirier, Jennifer, Reid, Patrick C, Pelle, Xavier, Subramanian, Vanitha, Vera, Victoria, Xu, Mei, Yang, Lihua, Yang, Qing, yu, jinghua, Zhu, Guoming, Monovich, Lauren G
Published in Circulation (New York, N.Y.) (16.11.2021)
Published in Circulation (New York, N.Y.) (16.11.2021)
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Journal Article
SYNTHETIC APELIN MIMETIC FOR TREATMENT OF HEART FAILURE
PHILIPP GROSCHE, HU QI-YING, ZHAO HONGJUAN, ANDREI GOLOSOV, YASOJIMA KAYO, DAVID THOMAS PARKER, FREDERIC ZECRI, IMASE HIDETOMO
Year of Publication 29.03.2018
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Year of Publication 29.03.2018
Patent