Publications

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2025

Repurposing of the RIPK1-Selective Benzo[1,4]oxazepin-4-one Scaffold for the Development of a Type III LIMK1/2 Inhibitor.

Mandel S, Hanke T, Mathea S, Chatterjee D, Saraswati H, Berger BT, Schwalm MP, Yamamoto S, Tawada M, Takagi T, Ahmed M, Röhm S, Corrionero A, Alfonso P, Baena M, Elson L, Menge A, Krämer A, Pereira R, Müller S, Krause DS, Knapp S

ACS Chem Biol. doi: 10.1021/acschembio.5c00097

Publication date: April 14, 2025

PMID: 40227881

ATPase activity profiling of three human DExD/H-box RNA helicases.

Li F, Chan UH, Perez JG, Zeng H, Chau I, Li Y, Seitova A, Halabelian L

SLAS Discov. 32:100229. doi: 10.1016/j.slasd.2025.100229

Publication date: April 8, 2025

PMID: 40194700

A guide to selecting high-performing antibodies for TAF15 (UniProt ID: Q92804) for use in western blot, immunoprecipitation, and immunofluorescence.

Ruíz Moleón V, Alende C, Fotouhi M, Ayoubi R, Laflamme C

F1000Res. 14:37. doi: 10.12688/f1000research.160371.1

Publication date: April 4, 2025

PMID: 40182019

From N-0385 to N-0920: Unveiling a Host-Directed Protease Inhibitor with Picomolar Antiviral Efficacy against Prevalent SARS-CoV-2 Variants.

Lemieux G, Pérez-Vargas J, Désilets A, Hassanzadeh M, Thompson CAH, Gravel-Trudeau A, Joushomme A, Ennis S, Villanueva I, Marouseau É, Fraser BJ, Champagne W, Lepage M, Niikura M, Arrowsmith CH, Jean F, Leduc R, Boudreault PL

J Med Chem. doi: 10.1021/acs.jmedchem.4c02468

Publication date: March 31, 2025

PMID: 40163818

Chemoproteomic Profiling of C. albicans for Characterization of Antifungal Kinase Inhibitors.

Shirley DJ, Nandakumar M, Cabrera A, Yiu B, Puumala E, Liu Z, Robbins N, Whitesell L, Smith JL, Lyons S, Mordant AL, Herring LE, Graves LM, Couñago RM, Drewry DH, Cowen LE, Willson TM

J Med Chem. doi: 10.1021/acs.jmedchem.5c00097

Publication date: March 20, 2025

PMID: 40110855

Structure-guided optimization of small molecules targeting Yck2 as a strategy to combat Candida albicans.

Puumala E, Nandakumar M, Yiu B, Stogios PJ, Strickland BG, Zarnowski R, Wang X, Williams NS, Savchenko A, Andes DR, Robbins N, Whitesell L, Willson TM, Cowen LE

Nat Commun. 16(1):2156. doi: 10.1038/s41467-025-57346-z

Publication date: March 5, 2025

PMID: 40038303

A covalent chemical probe for Chikungunya nsP2 cysteine protease with antialphaviral activity and proteome-wide selectivity.

Ghoshal A, Tse EG, Hossain MA, Asressu KH, Merten EM, Sears JD, Howell S, Perveen S, Burdick J, Morales NL, Martinez SA, Law I, Davenport BJ, Morrison TE, Streblow ZJ, Streblow DN, Mordant AL, Webb TS, Cabrera A, Herring LE, Arrowsmith CH, Pearce KH, Moorman NJ, Heise MT, Couñago RM, Brown PJ, Willson TM

Sci Rep. 15(1):7264. doi: 10.1038/s41598-025-91673-x

Publication date: March 3, 2025

PMID: 40025188

A guide to selecting high-performing antibodies for CSNK1A1 (UniProt ID: P48729) for use in western blot, immunoprecipitation, and immunofluorescence.

Ayoubi R, Alende C, Fotouhi M, Ruíz Moleón V, González Bolívar S, Southern K, Laflamme C

F1000Res. 13:1055. doi: 10.12688/f1000research.155928.1

Publication date: March 3, 2025

PMID: 40028451

Probing cancer with small-molecule tools-Progress and challenges.

Müller S, Sanfelice D, Workman P

Cancer Cell. doi: 10.1016/j.ccell.2025.02.003

Publication date: March 1, 2025

PMID: 40020670

Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells.

Uguen M, Shell DJ, Silva M, Deng Y, Li F, Szewczyk MM, Yang K, Zhao Y, Stashko MA, Norris-Drouin JL, Waybright JM, Beldar S, Rectenwald JM, Mordant AL, Webb TS, Herring LE, Arrowsmith CH, Ackloo S, Gygi SP, McGinty RK, Barsyte-Lovejoy D, Liu P, Halabelian L, James LI, Pearce KH, Frye SV

Nat Commun. 16(1):1905. doi: 10.1038/s41467-025-57005-3

Publication date: February 25, 2025

PMID: 39994194

Revisiting huntingtin activity and localization signals in the context of protein structure.

Truant R, Harding RJ, Neuman K, Maiuri T

J Huntingtons Dis. 13(4):419-430. doi: 10.1177/18796397241295303

Publication date: February 20, 2025

PMID: 39973382

Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.

Newman JA, Gavard AE, Imprachim N, Aitkenhead H, Sheppard HE, Te Poele R, Clarke PA, Hossain MA, Temme L, Oh HJ, Wells CI, Davis-Gilbert ZW, Workman P, Gileadi O, Drewry DH

Nat Commun. 16(1):1596. doi: 10.1038/s41467-025-56213-1

Publication date: February 15, 2025

PMID: 39952925

A guide to selecting high-performing antibodies for ADNP (UniProt ID: Q9H2P0) for use in western blot, immunoprecipitation, and immunofluorescence.

Ruíz Moleón V, Alende C, Fotouhi M, Ayoubi R, González Bolívar S, Laflamme C

F1000Res. 13:1545. doi: 10.12688/f1000research.160121.1

Publication date: February 14, 2025

PMID: 39949964

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks.

Kramer C, Chodera J, Damm-Ganamet KL, Gilson MK, Günther J, Lessel U, Lewis RA, Mobley D, Nittinger E, Pecina A, Schapira M, Walters WP

J Chem Inf Model. doi: 10.1021/acs.jcim.4c02296

Publication date: February 14, 2025

PMID: 39951479

A guide to selecting high-performing antibodies for Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit delta isoform (PPP2R5D) for use in Western Blot, immunoprecipitation and immunofluorescence.

Ayoubi R, Fotouhi M, Alende C, Southern K, Laflamme C

F1000Res. 13:1. doi: 10.12688/f1000research.145146.2

Publication date: February 12, 2025

PMID: 39935523

Structural Chemistry of Helicase Inhibition.

Selvaratnam L, Willson TM, Schapira M

J Med Chem. doi: 10.1021/acs.jmedchem.4c01909

Publication date: February 11, 2025

PMID: 39933052

Workflow for E3 Ligase Ligand Validation for PROTAC Development.

Miletić N, Weckesser J, Mosler T, Rathore R, Hoffmann ME, Gehrtz P, Schlesiger S, Hartung IV, Berner N, Wilhelm S, Müller J, Adhikari B, Němec V, Sivashanmugam SA, Elson L, Holzmann H, Schwalm MP, Hoffmann L, Abdul Azeez KR, Müller S, Kuster B, Wolf E, Đikić I, Knapp S

ACS Chem Biol. doi: 10.1021/acschembio.4c00812

Publication date: February 11, 2025

PMID: 39932098

A guide to selecting high-performing antibodies for VAPB (UniProt ID: O95292) for use in western blot, immunoprecipitation, and immunofluorescence.

González Bolívar S, Ayoubi R, Alende C, Fothouhi M, Shlaifer I, McPherson PS, Laflamme C

F1000Res. 13:1559. doi: 10.12688/f1000research.160226.1

Publication date: February 7, 2025

PMID: 39916983

Discovery of fully synthetic FKBP12-mTOR molecular glues.

Deutscher RCE, Meyners C, Repity ML, Sugiarto WO, Kolos JM, Maciel EVS, Heymann T, Geiger TM, Knapp S, Lermyte F, Hausch F

Chem Sci. doi: 10.1039/d4sc06917j

Publication date: February 7, 2025

PMID: 39916884

Selective inhibitors of the TrkC.T1 receptor reduce retinal inflammation and delay neuronal death in a model of retinitis pigmentosa.

Brahimi F, Nassour H, Galan A, Guruswamy R, Ortiz C, Nejatie A, Nedev H, Trempe JF, Saragovi HU

PNAS Nexus. 4(2):pgaf020. doi: 10.1093/pnasnexus/pgaf020

Publication date: February 6, 2025

PMID: 39911316

Enantioselective Protein Affinity Selection Mass Spectrometry (EAS-MS).

Wang X, Sun J, Ahmad S, Yang D, Li F, Chan UH, Zeng H, Simoben CV, Houliston S, Dong A, Bolotokova A, Gibson E, Kutera M, Ghiabi P, Kondratov I, Matviyuk T, Chuprina A, Mavridi D, Lenz C, Joerger AC, Brown BD, Heath RB, Yue WW, Robbie LK, Beyett TS, Müller S, Knapp S, Harding R, Schapira M, Brown PJ, Santhakumar V, Ackloo S, Arrowsmith CH, Edwards AM, Peng H, Halabelian L

bioRxiv. doi: 10.1101/2025.01.17.633682

Publication date: February 3, 2025

PMID: 39896675

Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1.

Mettu A, Glavatskikh M, Wang X, Lara Ordóñez AJ, Li F, Chau I, Ackloo S, Arrowsmith C, Bolotokova A, Ghiabi P, Gibson E, Halabelian L, Houliston S, Harding RJ, Hutchinson A, Loppnau P, Perveen S, Seitova A, Zeng H, Schapira M, Taymans JM, Kireev D

Chem Sci. doi: 10.1039/d4sc07532c

Publication date: January 29, 2025

PMID: 39877816

Serine phosphorylation facilitates protein degradation by the human mitochondrial ClpXP protease.

Feng Y, Goncalves MM, Jitkova Y, Keszei AFA, Yan Y, Sarathy C, St-Germain J, Kenney TMG, Tcheng M, Trudel V, Mancini RS, Upadhyay R, Hurren R, Gronda M, Schultz M, Soriano K, Lees K, Pomroy NC, Currie SQW, Privé GG, Reed MA, Yudin AK, Penn LZ, Arrowsmith CH, Raught B, Mazhab-Jafari MT, Vahidi S, Schimmer AD

Proc Natl Acad Sci U S A. 122(5):e2422447122. doi: 10.1073/pnas.2422447122

Publication date: January 29, 2025

PMID: 39879245

Development of a Second-Generation, In Vivo Chemical Probe for PIKfyve.

Min SM, Bashore FM, Smith JL, Havener TM, Howell S, Li H, Couñago RM, Popov KI, Axtman AD

J Med Chem. doi: 10.1021/acs.jmedchem.4c02531

Publication date: January 22, 2025

PMID: 39838960

Single-plate kinome screening in live-cells to enable highly cost-efficient kinase inhibitor profiling.

Schwalm MP, Knapp S

SLAS Discov. 100214. doi: 10.1016/j.slasd.2025.100214

Publication date: January 20, 2025

PMID: 39826872

Synthesis and functional screening of novel inhibitors targeting the HDAC6 zinc finger ubiquitin-binding domain.

Geurs S, Staessens E, Bredael K, Borghgraef S, De Ridder J, Persoons L, De Jonghe S, Schols D, Mann MK, Harding RJ, Franceus J, Desmet T, Van Hecke K, Clarisse D, De Bosscher K, D'hooghe M

Eur J Med Chem. 285:117208. doi: 10.1016/j.ejmech.2024.117208

Publication date: January 18, 2025

PMID: 39823806

Identification of a Chemical Probe for BLT2 Activation by Scaffold Hopping.

Hernandez-Olmos V, Heering J, Ildefeld N, Ehrler JHM, Kaps A, Rajkumar R, Marinescu B, Kaiser A, Macinkovic I, Elewa MAF, Alnouri MW, Elson L, Schubert-Zsilavecz M, Kallenborn-Gerhardt W, Schmidtko A, Müller S, Offermanns S, Steinhilber D, Weigert A, Proschak E

J Med Chem. doi: 10.1021/acs.jmedchem.4c01617

Publication date: January 13, 2025

PMID: 39803894

DARPin-induced reactivation of p53 in HPV-positive cells.

Münick P, Strubel A, Balourdas DI, Funk JS, Mernberger M, Osterburg C, Dreier B, Schaefer JV, Tuppi M, Yüksel B, Schäfer B, Knapp S, Plückthun A, Stiewe T, Joerger AC, Dötsch V

Nat Struct Mol Biol. doi: 10.1038/s41594-024-01456-7

Publication date: January 10, 2025

PMID: 39789211

Drug Development.

Leal K, Axtman AD, Betarbet R, Brennan PE, Carter GW, Fu H, Greenwood AK, Longo FM, Edwards AM, Levey AI, Center ET

Alzheimers Dement. 20 Suppl 6:e089250. doi: 10.1002/alz.089250

Publication date: January 9, 2025

PMID: 39782659

Deep CRISPR mutagenesis characterizes the functional diversity of TP53 mutations.

Funk JS, Klimovich M, Drangenstein D, Pielhoop O, Hunold P, Borowek A, Noeparast M, Pavlakis E, Neumann M, Balourdas DI, Kochhan K, Merle N, Bullwinkel I, Wanzel M, Elmshäuser S, Teply-Szymanski J, Nist A, Procida T, Bartkuhn M, Humpert K, Mernberger M, Savai R, Soussi T, Joerger AC, Stiewe T

Nat Genet. doi: 10.1038/s41588-024-02039-4

Publication date: January 8, 2025

PMID: 39774325

Alternative splicing in the DBD linker region of p63 modulates binding to DNA and iASPP in vitro.

Lotz R, Osterburg C, Chaikuad A, Weber S, Akutsu M, Machel AC, Beyer U, Gebel J, Löhr F, Knapp S, Dobbelstein M, Lu X, Dötsch V

Cell Death Dis. 16(1):4. doi: 10.1038/s41419-024-07320-2

Publication date: January 7, 2025

PMID: 39762243

Molecular basis of JAK kinase regulation guiding therapeutic approaches: Evaluating the JAK3 pseudokinase domain as a drug target.

Virtanen A, Kettunen V, Musta K, Räkköläinen V, Knapp S, Haikarainen T, Silvennoinen O

Adv Biol Regul. 101072. doi: 10.1016/j.jbior.2024.101072

Publication date: January 5, 2025

PMID: 39755448

Functional Characterization of Pathway Inhibitors for the Ubiquitin-Proteasome System (UPS) as Tool Compounds for CRBN and VHL-Mediated Targeted Protein Degradation.

Schwalm MP, Menge A, Elson L, Greco FA, Robers MB, Müller S, Knapp S

ACS Chem Biol. doi: 10.1021/acschembio.4c00450

Publication date: January 4, 2025

PMID: 39753207

Phenomics-based Discovery of Novel Orthosteric Choline Kinase Inhibitors.

Bauer LG, Ward JA, Díaz-Sáez L, Sundström Y, Tolvanen T, Barrera JCA, Kostidis S, Rogers CM, Panagakou I, Singh U, Rothweiler EM, Gonzalez Orta A, Kaniskan HÜ, Hu J, Jin J, Sievers S, Waldmann H, Giera M, Sundström M, Berg L, Huber K

Angew Chem Int Ed Engl. e202420149. doi: 10.1002/anie.202420149

Publication date: January 1, 2025

PMID: 39740997

2024

Development and Discovery of a Selective Degrader of Casein Kinases 1 δ/ε.

Haag A, Němec V, Janovská P, Bartošíková J, Adhikari B, Müller J, Schwalm MP, Čada Š, Ohmayer U, Daub H, Kim Y, Born F, Wolf E, Bryja V, Knapp S

J Med Chem. doi: 10.1021/acs.jmedchem.4c02201

Publication date: December 27, 2024

PMID: 39729064

Targeting Na(v)1.7 and Na(v)1.8 with a PIKfyve inhibitor to reverse inflammatory and neuropathic pain.

Rodríguez-Palma EJ, Loya-Lopez S, Min SM, Calderon-Rivera A, Gomez K, Khanna R, Axtman AD

Neurobiol Pain. 17:100174. doi: 10.1016/j.ynpai.2024.100174

Publication date: December 25, 2024

PMID: 39720155

Probing the Protein Kinases' Cysteinome by Covalent Fragments.

Wang G, Seidler NJ, Röhm S, Pan Y, Liang XJ, Haarer L, Berger BT, Sivashanmugam SA, Wydra VR, Forster M, Laufer SA, Chaikuad A, Gehringer M, Knapp S

Angew Chem Int Ed Engl. e202419736. doi: 10.1002/anie.202419736

Publication date: December 24, 2024

PMID: 39716901

Interplay between β-propeller subunits WDR26 and muskelin regulates the CTLH E3 ligase supramolecular complex.

Maitland MER, Onea G, Owens DDG, Gonga-Cavé BC, Wang X, Arrowsmith CH, Barsyte-Lovejoy D, Lajoie GA, Schild-Poulter C

Commun Biol. 7(1):1668. doi: 10.1038/s42003-024-07371-3

Publication date: December 20, 2024

PMID: 39702571

DARPins as a novel tool to detect and degrade p73.

Münick P, Zielinski J, Strubel A, Gutfreund N, Dreier B, Schaefer JV, Schäfer B, Gebel J, Osterburg C, Chaikuad A, Knapp S, Plückthun A, Dötsch V

Cell Death Dis. 15(12):909. doi: 10.1038/s41419-024-07304-2

Publication date: December 19, 2024

PMID: 39695090

A consensus platform for antibody characterization.

Ayoubi R, Ryan J, Gonzalez Bolivar S, Alende C, Ruiz Moleon V, Fotouhi M, Alqazzaz M, Southern K, Alshafie W, Baker MR, Ball AR Jr, Callahan D, Cooper JA, Crosby K, Harvey KJ, Houston DW, Kumaran R, Rego M, Schofield C, Wu H, Biddle MS, Brown CM, Kahn RA, Bandrowski A, Virk HS, Edwards AM, McPherson PS, Laflamme C

Nat Protoc. doi: 10.1038/s41596-024-01095-8

Publication date: December 18, 2024

PMID: 39690206

Design, Synthesis, and Biochemical Evaluation of Novel MLK3 Inhibitors: A Target Hopping Example.

Sander P, Schwalm MP, Krämer A, Elson L, Rasch A, Masberg B, Selig R, Sievers-Engler A, Lämmerhofer M, Müller S, Knapp S, Albrecht W, Laufer SA

J Med Chem. doi: 10.1021/acs.jmedchem.4c02552

Publication date: December 17, 2024

PMID: 39681301

Probe my Pathway (PmP): a portal to explore the chemical coverage of the human Reactome.

Kwak HA, Liu L, Schapira M

Database (Oxford). 2024:. doi: 10.1093/database/baae116

Publication date: December 15, 2024

PMID: 39657145

Screening of a kinase inhibitor library identified novel targetable kinase pathways in triple-negative breast cancer.

Rinderle CH, Baker CV, Lagarde CB, Nguyen K, Al-Ghadban S, Matossian MD, Hoang VT, Martin EC, Collins-Burow BM, Ali S, Drewry DH, Burow ME, Bunnell BA

Anticancer Drugs. 36(1):39-48. doi: 10.1097/CAD.0000000000001658

Publication date: December 13, 2024

PMID: 39671264

A Covalent Chemical Probe for Chikungunya nsP2 Cysteine Protease with Antialphaviral Activity and Proteome-wide Selectivity.

Ghoshal A, Tse EG, Hossain MA, Asressu KH, Merten EM, Sears JD, Howell S, Perveen S, Burdick J, Morales NL, Martinez SA, Law I, Davenport BJ, Morrison TE, Streblow ZJ, Streblow DN, Mordant AL, Webb TS, Cabrera A, Herring LE, Arrowsmith CH, Pearce KH, Moorman NJ, Heise MT, Couñago RM, Brown PJ, Willson TM

Res Sq. doi: 10.21203/rs.3.rs-5363451/v1

Publication date: November 28, 2024

PMID: 39606462

Critical assessment of LC3/GABARAP ligands used for degrader development and ligandability of LC3/GABARAP binding pockets.

Schwalm MP, Dopfer J, Kumar A, Greco FA, Bauer N, Löhr F, Heering J, Cano-Franco S, Lechner S, Hanke T, Jaser I, Morasch V, Lenz C, Fearon D, Marples PG, Tomlinson CWE, Brunello L, Saxena K, Adams NBP, von Delft F, Müller S, Stolz A, Proschak E, Kuster B, Knapp S, Rogov VV

Nat Commun. 15(1):10204. doi: 10.1038/s41467-024-54409-5

Publication date: November 26, 2024

PMID: 39587067

Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.

Mabanglo MF, Wilson B, Noureldin M, Kimani SW, Mamai A, Krausser C, González-Álvarez H, Srivastava S, Mohammed M, Hoffer L, Chan M, Avrumutsoae J, Li ASM, Hajian T, Tucker S, Green S, Szewczyk M, Barsyte-Lovejoy D, Santhakumar V, Ackloo S, Loppnau P, Li Y, Seitova A, Kiyota T, Wang JG, Privé GG, Kuntz DA, Patel B, Rathod V, Vala A, Rout B, Aman A, Poda G, Uehling D, Ramnauth J, Halabelian L, Marcellus R, Al-Awar R, Vedadi M

Nat Commun. 15(1):10165. doi: 10.1038/s41467-024-54500-x

Publication date: November 24, 2024

PMID: 39580491

The endocannabinoid anandamide mediates anti-inflammatory effects through activation of NR4A nuclear receptors.

Teichmann T, Pflüger-Müller B, Giménez VMM, Sailer F, Dirks H, Zehr S, Warwick T, Brettner F, Munoz-Tello P, Zimmer A, Tegeder I, Thomas D, Gurke R, Günther S, Heering J, Proschak E, Geisslinger G, Bibli IS, Heringdorf DMZ, Manucha W, Windbergs M, Knapp S, Weigert A, Leisegang MS, Kojetin D, Brandes RP

Br J Pharmacol. doi: 10.1111/bph.17366

Publication date: November 20, 2024

PMID: 39563075

The Chemical Probes Portal - 2024: update on this public resource to support best-practice selection and use of small molecules in biomedical research.

Sanfelice D, Antolin AA, Crisp A, Chen Y, Bellenie B, Brennan PE, Edwards A, Müller S, Al-Lazikani B, Workman P

Nucleic Acids Res. doi: 10.1093/nar/gkae1062

Publication date: November 19, 2024

PMID: 39558166

Discovery of CHD1 Antagonists for PTEN-Deficient Prostate Cancer.

Johnson RL, Graboski AL, Li F, Norris-Drouin JL, Walton WG, Arrowsmith CH, Redinbo MR, Frye SV, James LI

J Med Chem. doi: 10.1021/acs.jmedchem.4c01172

Publication date: November 13, 2024

PMID: 39508435

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.

Li F, Ackloo S, Arrowsmith CH, Ban F, Barden CJ, Beck H, Beránek J, Berenger F, Bolotokova A, Bret G, Breznik M, Carosati E, Chau I, Chen Y, Cherkasov A, Corte DD, Denzinger K, Dong A, Draga S, Dunn I, Edfeldt K, Edwards A, Eguida M, Eisenhuth P, Friedrich L, Fuerll A, Gardiner SS, Gentile F, Ghiabi P, Gibson E, Glavatskikh M, Gorgulla C, Guenther J, Gunnarsson A, Gusev F, Gutkin E, Halabelian L, Harding RJ, Hillisch A, Hoffer L, Hogner A, Houliston S, Irwin JJ, Isayev O, Ivanova A, Jacquemard C, Jarrett AJ, Jensen JH, Kireev D, Kleber J, Koby SB, Koes D, Kumar A, Kurnikova MG, Kutlushina A, Lessel U, Liessmann F, Liu S, Lu W, Meiler J, Mettu A, Minibaeva G, Moretti R, Morris CJ, Narangoda C, Noonan T, Obendorf L, Pach S, Pandit A, Perveen S, Poda G, Polishchuk P, Puls K, Pütter V, Rognan D, Roskams-Edris D, Schindler C, Sindt F, Spiwok V, Steinmann C, Stevens RL, Talagayev V, Tingey D, Vu O, Walters WP, Wang X, Wang Z, Wolber G, Wolf CA, Wortmann L, Zeng H, Zepeda CA, Zhang KYJ, Zhang J, Zheng S, Schapira M

J Chem Inf Model. doi: 10.1021/acs.jcim.4c01267

Publication date: November 5, 2024

PMID: 39499532

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