// PUBLICATIONS
of the CavX consortium in the last years (2018-2024) – PubMed search
Inactivation induced by pathogenic Cav1.3 L-type Ca2+-channel variants enhances sensitivity for dihydropyridine Ca2+ channel blockers.
Török F, Salamon S, Ortner NJ, Fernández-Quintero ML, Matthes J, Striessnig J. Br J Pharmacol. 2024 Oct 7. doi: 10.1111/bph.17357. Online ahead of print. PMID: 39370994
Assessing AF2’s ability to predict structural ensembles of proteins
Riccabona JR, Spoendlin FC, Fischer AM, Loeffler JR, Quoika PK, Jenkins TP, Ferguson JA, Smorodina E, Laustsen AH, Greiff V, Forli S, Ward AB, Deane CM, Fernández-Quintero ML. Structure. 2024 Sep 20:S0969-2126(24)00370-8. doi: 10.1016/j.str.2024.09.001. Online ahead of print. PMID: 39332396
First report of a bla NDM-producing extensively drug resistant Klebsiella pneumoniae ST437 in Italy
Ranieri SC, Fabbrizi V, D’ Amario AM, Frascella MG, Di Biase V, Di Francesco C, Di Sante S, De Berardis L, De Martinis M, Partenza M, Chiaverini A, Centorotola G, Cammà C, Pomilio F, Cornacchia A. Front Cell Infect Microbiol. 2024 Sep 11;14:1426817. doi: 10.3389/fcimb.2024.1426817. eCollection 2024. PMID: 39324055 Free PMC article.
A Novel De Novo Gain-of-Function CACNA1D Variant in Neurodevelopmental Disease With Congenital Tremor, Seizures, and Hypotonia
Dannenberg F, Von Moers A, Bittigau P, Lange J, Wiegand S, Török F, Stölting G, Striessnig J, Motazacker MM, Broekema MF, Schuelke M, Kaindl AM, Scholl UI, Ortner NJ. Neurol Genet. 2024 Sep 6;10(5):e200186. doi: 10.1212/NXG.0000000000200186. eCollection 2024 Oct. PMID: 39246741 Free PMC article.
CaV1.1 voltage-sensing domain III exclusively controls skeletal muscle excitation-contraction coupling
Pelizzari S, Heiss MC, Fernández-Quintero ML, El Ghaleb Y, Liedl KR, Tuluc P, Campiglio M, Flucher BE. Nat Commun. 2024 Aug 28;15(1):7440. doi: 10.1038/s41467-024-51809-5. PMID: 39198449 Free PMC article.
A biallelic mutation in CACNA2D2 associated with developmental and epileptic encephalopathy affects calcium channel-dependent as well as synaptic functions of α2δ-2
Haddad S, Ablinger C, Stanika R, Hessenberger M, Campiglio M, Ortner NJ, Tuluc P, Obermair GJ. J Neurochem. 2024 Aug 19. doi: 10.1111/jnc.16197. Online ahead of print. PMID: 39161180
Engineering of pH-dependent antigen binding properties for toxin-targeting IgG1 antibodies using light-chain shuffling
Tulika T, Ruso-Julve F, Ahmadi S, Ljungars A, Rivera-de-Torre E, Wade J, Fernández-Quintero ML, Jenkins TP, Belfakir SB, Ross GMS, Boyens-Thiele L, Buell AK, Sakya SA, Sørensen CV, Bohn MF, Ledsgaard L, Voldborg BG, Francavilla C, Schlothauer T, Lomonte B, Andersen JT, Laustsen AH. Structure. 2024 Sep 5;32(9):1404-1418.e7. doi: 10.1016/j.str.2024.07.014. Epub 2024 Aug 14. PMID: 39146931 Free PMC article.
STAT3 in acute myeloid leukemia facilitates natural killer cell-mediated surveillance
Witalisz-Siepracka A, Denk CM, Zdársky B, Hofmann L, Edtmayer S, Harm T, Weiss S, Heindl K, Hessenberger M, Summer S, Dutta S, Casanova E, Obermair GJ, Győrffy B, Putz EM, Sill H, Stoiber D. Front Immunol. 2024 Jul 5;15:1374068. doi: 10.3389/fimmu.2024.1374068. eCollection 2024. PMID: 39034990 Free PMC article.
Deletion of the α2δ-1 calcium channel subunit increases excitability of mouse chromaffin cells
Geisler SM, Ottaviani MM, Jacobo-Piqueras N, Theiner T, Mastrolia V, Guarina L, Ebner K, Obermair GJ, Carbone E, Tuluc P. J Physiol. 2024 Aug;602(15):3793-3814. doi: 10.1113/JP285681. Epub 2024 Jul 14. PMID: 39004870
Fit-for-purpose heterodivalent single-domain antibody for gastrointestinal targeting of toxin B from Clostridium difficile
Rodriguez Rodriguez ER, Nordvang RT, Petersson M, Rendsvig JKH, Arendrup EW, Fernández Quintero ML, Jenkins TP, Laustsen AH, Thrane SW. Protein Sci. 2024 Jul;33(7):e5035. doi: 10.1002/pro.5035. PMID: 38923049
Spatial transcriptomics in embryonic mouse diaphragm muscle reveals regional gradients and subdomains of developmental gene expression
Kaplan MM, Zeidler M, Knapp A, Hölzl M, Kress M, Fritsch H, Krogsdam A, Flucher BE. iScience. 2024 May 17;27(6):110018. doi: 10.1016/j.isci.2024.110018. eCollection 2024 Jun 21. PMID: 38883818
Slow kinesin-dependent microtubular transport facilitates ribbon synapse assembly in developing cochlear inner hair cells
Voorn RA, Sternbach M, Jarysta A, Rankovic V, Tarchini B, Wolf F, Vogl C. bioRxiv [Preprint]. 2024 Apr 15:2024.04.12.589153. doi: 10.1101/2024.04.12.589153. PMID: 38659872
Novel protocol for multiple-dose oral administration of the L-type Ca2+ channel blocker isradipine in mice: A dose-finding pharmacokinetic study
Theiner T, Ortner NJ, Oberacher H, Stojanovic G, Tuluc P, Striessnig J. Channels (Austin). 2024 Dec;18(1):2335469. doi: 10.1080/19336950.2024.2335469. Epub 2024 Apr 2. PMID: 38564754
Pathogenicity of de novo CACNA1D Ca2+ channel variants predicted from sequence co-variation
Tang X, Ortner NJ, Nikonishyna YV, Fernández-Quintero ML, Kokot J, Striessnig J, Liedl KR. Eur J Hum Genet. 2024 Mar 29. doi: 10.1038/s41431-024-01594-y. Online ahead of print. PMID: 38553610
Ferroelectric Phase Transition in Barium Titanate Revisited with Ab Initio Molecular Dynamics
Ludt C, Meyer DC, Zschornak M. Materials (Basel). 2024 Feb 23;17(5):1023. doi: 10.3390/ma17051023. PMID: 38473495
The Role of Force Fields and Water Models in Protein Folding and Unfolding Dynamics
Fischer AM, Tichy A, Kokot J, Hoerschinger VJ, Wild RF, Riccabona JR, Loeffler JR, Waibl F, Quoika PK, Gschwandtner P, Forli S, Ward AB, Liedl KR, Zacharias M, Fernández-Quintero ML. J Chem Theory Comput. 2024 Mar 12;20(5):2321-2333. doi: 10.1021/acs.jctc.3c01106. Epub 2024 Feb 19. PMID: 38373307
Molecular mechanism responsible for sex differences in electrical activity of mouse pancreatic β cells
Jacobo-Piqueras N, Theiner T, Geisler SM, Tuluc P. JCI Insight. 2024 Feb 15;9(6):e171609. doi: 10.1172/jci.insight.171609. PMID: 38358819 Free PMC article.
Defining the cross-reactivity between peanut allergens Ara h 2 and Ara h 6 using monoclonal antibodies
Marini-Rapoport O, Fernández-Quintero ML, Keswani T, Zong G, Shim J, Pedersen LC, Mueller GA, Patil SU. Clin Exp Immunol. 2024 Mar 12;216(1):25-35. doi: 10.1093/cei/uxae005. PMID: 38346116
Broadly inhibitory antibodies against severe malaria virulence proteins
Reyes RA, Raghavan SSR, Hurlburt NK, Introini V, Kana IH, Jensen RW, Martinez-Scholze E, Gestal-Mato M, Bau CB, Fernández-Quintero ML, Loeffler JR, Ferguson JA, Lee WH, Martin GM, Theander TG, Ssewanyana I, Feeney ME, Greenhouse B, Bol S, Ward AB, Bernabeu M, Pancera M, Turner L, Bunnik EM, Lavstsen T. bioRxiv [Preprint]. 2024 Jan 25:2024.01.25.577124. doi: 10.1101/2024.01.25.577124. PMID: 38328068 Free PMC article. Preprint.
Asymmetric contribution of a selectivity filter gate in triggering inactivation of CaV1.3 channels
Del Rivero Morfin PJ, Kochiss AL, Liedl KR, Flucher BE, Fernández-Quintero MLI, Ben-Johny M. J Gen Physiol. 2024 Feb 5;156(2):e202313365. doi: 10.1085/jgp.202313365. Epub 2024 Jan 4. PMID: 38175169
Treatment of multiple-beam X-ray diffraction in energy-dependent measurements
Nentwich M, Zschornak M, Weigel T, Köhler T, Novikov D, Meyer DC, Richter C. J Synchrotron Radiat. 2024 Jan 1;31(Pt 1):28-34. doi: 10.1107/S1600577523009670. Epub 2024 Jan 1. PMID: 38095667 Free PMC article.
Excitation-secretion coupling in chromaffin cells of the adrenal gland: Where does calcium come from?
Tuluc P, Carbone E. Pflugers Arch. 2024 Jan;476(1):3-4. doi: 10.1007/s00424-023-02867-z. Epub 2023 Oct 16. PMID: 37843577 Free PMC article. No abstract available.
The Concise Guide to PHARMACOLOGY 2023/24: Introduction and Other Protein Targets
Alexander SPH, Kelly E, Mathie AA, Peters JA, Veale EL, Armstrong JF, Buneman OP, Faccenda E, Harding SD, Spedding M, Cidlowski JA, Fabbro D, Davenport AP, Striessnig J, Davies JA, Ahlers-Dannen KE, Alqinyah M, Arumugam TV, Bodle C, Dagner JB, Chakravarti B, Choudhuri SP, Druey KM, Fisher RA, Gerber KJ, Hepler JR, Hooks SB, Kantheti HS, Karaj B, Layeghi-Ghalehsoukhteh S, Lee JK, Luo Z, Martemyanov K, Mascarenhas LD, McNabb H, Montañez-Miranda C, Ogujiofor O, Phan H, Roman DL, Shaw V, Sjogren B, Sobey C, Spicer MM, Squires KE, Sutton L, Wendimu M, Wilkie T, Xie K, Zhang Q, Zolghadri Y. Br J Pharmacol. 2023 Oct;180 Suppl 2:S1-S22. doi: 10.1111/bph.16176. PMID: 38123153 Review.
The Concise Guide to PHARMACOLOGY 2023/24: Ion channels
Alexander SPH, Mathie AA, Peters JA, Veale EL, Striessnig J, Kelly E, Armstrong JF, Faccenda E, Harding SD, Davies JA, Aldrich RW, Attali B, Baggetta AM, Becirovic E, Biel M, Bill RM, Caceres AI, Catterall WA, Conner AC, Davies P, De Clerq K, Delling M, Di Virgilio F, Falzoni S, Fenske S, Fortuny-Gomez A, Fountain S, George C, Goldstein SAN, Grimm C, Grissmer S, Ha K, Hammelmann V, Hanukoglu I, Hu M, Ijzerman AP, Jabba SV, Jarvis M, Jensen AA, Jordt SE, Kaczmarek LK, Kellenberger S, Kennedy C, King B, Kitchen P, Liu Q, Lynch JW, Meades J, Mehlfeld V, Nicke A, Offermanns S, Perez-Reyes E, Plant LD, Rash L, Ren D, Salman MM, Sieghart W, Sivilotti LG, Smart TG, Snutch TP, Tian J, Trimmer JS, Van den Eynde C, Vriens J, Wei AD, Winn BT, Wulff H, Xu H, Yang F, Fang W, Yue L, Zhang X, Zhu M. Br J Pharmacol. 2023 Oct;180 Suppl 2:S145-S222. doi: 10.1111/bph.16178. PMID: 38123150
Structural Basis of the Immunological Cross-Reactivity between Kiwi and Birch Pollen
Zeindl R, Franzmann AL, Fernández-Quintero ML, Seidler CA, Hoerschinger VJ, Liedl KR, Tollinger M. Foods. 2023 Oct 27;12(21):3939. doi: 10.3390/foods12213939. PMID: 37959058 Free PMC article.
Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for Chameleonicity
Tang X, Kokot J, Waibl F, Fernández-Quintero ML, Kamenik AS, Liedl KR. J Chem Inf Model. 2023 Nov 27;63(22):7107-7123. doi: 10.1021/acs.jcim.3c01123. Epub 2023 Nov 9. PMID: 37943023 Free PMC article.
PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity, and Antibody Developability
Hoerschinger VJ, Waibl F, Pomarici ND, Loeffler JR, Deane CM, Georges G, Kettenberger H, Fernández-Quintero ML, Liedl KR. J Chem Inf Model. 2023 Nov 27;63(22):6964-6971. doi: 10.1021/acs.jcim.3c01490. Epub 2023 Nov 7. PMID: 37934909 Free PMC article.
Phage display assisted discovery of a pH-dependent anti-α-cobratoxin antibody from a natural variable domain library
Tulika T, Pedersen RW, Rimbault C, Ahmadi S, Rivera-de-Torre E, Fernández-Quintero ML, Loeffler JR, Bohn MF, Ljungars A, Ledsgaard L, Voldborg BG, Ruso-Julve F, Andersen JT, Laustsen AH. Protein Sci. 2023 Dec;32(12):e4821. doi: 10.1002/pro.4821. PMID: 37897425 Free PMC article.
Structure and Dynamics Guiding Design of Antibody Therapeutics and Vaccines
Fernández-Quintero ML, Pomarici ND, Fischer AM, Hoerschinger VJ, Kroell KB, Riccabona JR, Kamenik AS, Loeffler JR, Ferguson JA, Perrett HR, Liedl KR, Han J, Ward AB. Antibodies (Basel). 2023 Oct 18;12(4):67. doi: 10.3390/antib12040067. PMID: 37873864 Free PMC article. Review.
Excitation-secretion coupling in chromaffin cells of the adrenal gland: Where does calcium come from?
Tuluc P, Carbone E. Pflugers Arch. 2024 Jan;476(1):3-4. doi: 10.1007/s00424-023-02867-z. Epub 2023 Oct 16. PMID: 37843577 Free PMC article. No abstract available.
Asymmetric Contribution of a Selectivity Filter Gate in Triggering Inactivation of Ca V 1.3 Channels
Del Rivero Morfin PJ, Kochiss AL, Liedl KR, Flucher BE, Fernández-Quintero MLI, Ben-Johny M. bioRxiv. 2023 Sep 23:2023.09.21.558864. doi: 10.1101/2023.09.21.558864. Preprint. PMID: 37790368 Free PMC article.
The human channel gating-modifying A749G CACNA1D (Cav1.3) variant induces a neurodevelopmental syndrome-like phenotype in mice
Ortner NJ, Sah A, Paradiso E, Shin J, Stojanovic S, Hammer N, Haritonova M, Hofer NT, Marcantoni A, Guarina L, Tuluc P, Theiner T, Pitterl F, Ebner K, Oberacher H, Carbone E, Stefanova N, Ferraguti F, Singewald N, Roeper J, Striessnig J. JCI Insight. 2023 Sep 12:e162100. doi: 10.1172/jci.insight.162100. Online ahead of print. PMID: 37698939 Free article.
Age-dependent structural reorganization of utricular ribbon synapses
Michanski S, Henneck T, Mukhopadhyay M, Steyer AM, Gonzalez PA, Grewe K, Ilgen P, Gültas M, Fornasiero EF, Jakobs S, Möbius W, Vogl C, Pangršič T, Rizzoli SO, Wichmann C. Front Cell Dev Biol. 2023 Aug 10;11:1178992. doi: 10.3389/fcell.2023.1178992. eCollection 2023. PMID: 37635868 Free PMC article.
An ex vivo Model of Paired Cultured Hippocampal Neurons for Bi-directionally Studying Synaptic Transmission and Plasticity
Stanika R, Obermair GJ. Bio Protoc. 2023 Jul 20;13(14):e4761. doi: 10.21769/BioProtoc.4761. eCollection 2023 Jul 20. PMID: 37497454 Free PMC article.
Defining and Studying B Cell Receptor and TCR Interactions
Rappazzo CG, Fernández-Quintero ML, Mayer A, Wu NC, Greiff V, Guthmiller JJ. J Immunol. 2023 Aug 1;211(3):311-322. doi: 10.4049/jimmunol.2300136. PMID: 37459189
Establishing a cell-based screening workflow for determining the efficiency of CYP2C9 metabolism: moving towards the use of breath volatiles in personalised medicine
Lochmann F, Nikolajevic A, Stock V, Kammerer S, Fernández-Quintero ML, Loeffler JR, Liedl KR, Troppmair J, Mayhew CA, Ruzsanyi V. J Breath Res. 2023 Jul 19;17(4). doi: 10.1088/1752-7163/ace46f. PMID: 37406623
Lipopolysaccharide-induced sepsis impairs M2R-GIRK signaling in the mouse sinoatrial node
Shrestha N, Zorn-Pauly K, Mesirca P, Koyani CN, Wölkart G, Di Biase V, Torre E, Lang P, Gorischek A, Schreibmayer W, Arnold R, Maechler H, Mayer B, von Lewinski D, Torrente AG, Mangoni ME, Pelzmann B, Scheruebel S. Proc Natl Acad Sci U S A. 2023 Jul 11;120(28):e2210152120. doi: 10.1073/pnas.2210152120. Epub 2023 Jul 5. PMID: 37406102
Cross-linking disulfide bonds govern solution structures of diabodies
Math BA, Waibl F, Lamp LM, Fernández-Quintero ML, Liedl KR. Proteins. 2023 Sep;91(9):1316-1328. doi: 10.1002/prot.26509. Epub 2023 Jun 28. PMID: 37376973
Evolution of the Immunoglobulin Isotypes-Variations of Biophysical Properties among Animal Classes
Pomarici ND, Cacciato R, Kokot J, Fernández-Quintero ML, Liedl KR. Biomolecules. 2023 May 8;13(5):801. doi: 10.3390/biom13050801. PMID: 37238671 Free PMC article.
Structural basis of epitope selectivity and potent protection from malaria by PfCSP antibody L9
Martin GM, Fernández-Quintero ML, Lee WH, Pholcharee T, Eshun-Wilson L, Liedl KR, Pancera M, Seder RA, Wilson IA, Ward AB. Nat Commun. 2023 May 17;14(1):2815. doi: 10.1038/s41467-023-38509-2. PMID: 37198165 Free PMC article.
High Intrinsic Oncogenic Potential in the Myc-Box-Deficient Hydra Myc3 Protein
Lechable M, Tang X, Siebert S, Feldbacher A, Fernández-Quintero ML, Breuker K, Juliano CE, Liedl KR, Hobmayer B, Hartl M. Cells. 2023 Apr 26;12(9):1265. doi: 10.3390/cells12091265. PMID: 37174665 Free PMC article.
Toll-Like Receptor 3 Mediates Aortic Stenosis Through a Conserved Mechanism of Calcification
Gollmann-Tepeköylü C, Graber M, Hirsch J, Mair S, Naschberger A, Pölzl L, Nägele F, Kirchmair E, Degenhart G, Demetz E, Hilbe R, Chen HY, Engert JC, Böhm A, Franz N, Lobenwein D, Lener D, Fuchs C, Weihs A, Töchterle S, Vogel GF, Schweiger V, Eder J, Pietschmann P, Seifert M, Kronenberg F, Coassin S, Blumer M, Hackl H, Meyer D, Feuchtner G, Kirchmair R, Troppmair J, Krane M, Weiss G, Tsimikas S, Thanassoulis G, Grimm M, Rupp B, Huber LA, Zhang SY, Casanova JL, Tancevski I, Holfeld J. Circulation. 2023 May 16;147(20):1518-1533. doi: 10.1161/CIRCULATIONAHA.122.063481. Epub 2023 Apr 4. PMID: 37013819
Characterization of two pathological gating-charge substitutions in Cav1.4 L-type calcium channels
Heigl T, Netzer MA, Zanetti L, Ganglberger M, Fernández-Quintero ML, Koschak A. Channels (Austin). 2023 Dec;17(1):2192360. doi: 10.1080/19336950.2023.2192360. PMID: 36943941 Free PMC article.
Structural mechanism of Fab domain dissociation as a measure of interface stability
Pomarici ND, Waibl F, Quoika PK, Bujotzek A, Georges G, Fernández-Quintero ML, Liedl KR. J Comput Aided Mol Des. 2023 Apr;37(4):201-215. doi: 10.1007/s10822-023-00501-9. Epub 2023 Mar 15. PMID: 36918473 Free PMC article.
Structural Characterization of Nanobodies during Germline Maturation
Seidler CA, Kokot J, Fernández-Quintero ML, Liedl KR. Biomolecules. 2023 Feb 17;13(2):380. doi: 10.3390/biom13020380. PMID: 36830754 Free PMC article.
Assessing developability early in the discovery process for novel biologics
Fernández-Quintero ML, Ljungars A, Waibl F, Greiff V, Andersen JT, Gjølberg TT, Jenkins TP, Voldborg BG, Grav LM, Kumar S, Georges G, Kettenberger H, Liedl KR, Tessier PM, McCafferty J, Laustsen AH. MAbs. 2023 Jan-Dec;15(1):2171248. doi: 10.1080/19420862.2023.2171248. PMID: 36823021 Free PMC article. Review.
Cav 1.3-selective inhibitors of voltage-gated L-type Ca2+ channels: Fact or (still) fiction?
Filippini L, Ortner NJ, Kaserer T, Striessnig J. Br J Pharmacol. 2023 May;180(10):1289-1303. doi: 10.1111/bph.16060. Epub 2023 Mar 14. PMID: 36788128 Review.
Challenges in antibody structure prediction
Fernández-Quintero ML, Kokot J, Waibl F, Fischer AM, Quoika PK, Deane CM, Liedl KR. MAbs. 2023 Jan-Dec;15(1):2175319. doi: 10.1080/19420862.2023.2175319. PMID: 36775843 Free PMC article.
A novel calcium channel Cavβ2 splice variant with unique properties predominates in the retina
Seitter H, Obkircher J, Grabher P, Hartl J, Zanetti L, Lux UT, Fotakis G, Fernández-Quintero ML, Kaserer T, Koschak A. J Biol Chem. 2023 Apr;299(4):102972. doi: 10.1016/j.jbc.2023.102972. Epub 2023 Feb 2. PMID: 36738788 Free PMC article.
Pathophysiological Roles of Auxiliary Calcium Channel α2δ Subunits
Hessenberger M, Haddad S, Obermair GJ. Handb Exp Pharmacol. 2023;279:289-316. doi: 10.1007/164_2022_630. PMID: 36598609
CaV3.3 Channelopathies
El Ghaleb Y, Flucher BE. Handb Exp Pharmacol. 2023;279:263-288. doi: 10.1007/164_2022_631. PMID: 36592228
CaV1.1 Calcium Channel Signaling Complexes in Excitation-Contraction Coupling: Insights from Channelopathies
Campiglio M, Dyrda A, Tuinte WE, Török E. Handb Exp Pharmacol. 2023;279:3-39. doi: 10.1007/164_2022_627. PMID: 36592225
CACNA1D-Related Channelopathies: From Hypertension to Autism
Ortner NJ. Handb Exp Pharmacol. 2023;279:183-225. doi: 10.1007/164_2022_626. PMID: 36592224 Review.
Mitochondrial network expansion and dynamic redistribution during islet morphogenesis in zebrafish larvae
Freudenblum J, Meyer D, Kimmel RA. FEBS Lett. 2023 Jan;597(2):262-275. doi: 10.1002/1873-3468.14508. Epub 2022 Oct 19. PMID: 36217213 Free PMC article.
Germline de novo variant F747S extends the phenotypic spectrum of CACNA1D Ca2+ channelopathies
Török F, Tezcan K, Filippini L, Fernández-Quintero ML, Zanetti L, Liedl KR, Drexel RS, Striessnig J, Ortner NJ. Hum Mol Genet. 2023 Feb 19;32(5):847-859. doi: 10.1093/hmg/ddac248. PMID: 36208199 Free PMC article.
Thermostabilizing mechanisms of canonical single amino acid substitutions at a GH1 β-glucosidase probed by multiple MD and computational approaches
Rocha REO, Mariano DCB, Almeida TS, CorrêaCosta LS, Fischer PHC, Santos LH, Caffarena ER, da Silveira CH, Lamp LM, Fernandez-Quintero ML, Liedl KR, de Melo-Minardi RC, de Lima LHF. Proteins. 2023 Feb;91(2):218-236. doi: 10.1002/prot.26424. Epub 2022 Oct 10. PMID: 36114781