 Models, Molecular
"Models, Molecular" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus,
MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure,
which enables searching at various levels of specificity.
Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.
| Descriptor ID |
D008958
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| MeSH Number(s) |
E05.599.595
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| Concept/Terms |
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Below are MeSH descriptors whose meaning is more general than "Models, Molecular".
Below are MeSH descriptors whose meaning is more specific than "Models, Molecular".
This graph shows the total number of publications written about "Models, Molecular" by people in UAMS Profiles by year, and whether "Models, Molecular" was a major or minor topic of these publications.
To see the data from this visualization as text, click here.
| Year | Major Topic | Minor Topic | Total |
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| 2025 | 0 | 1 | 1 | | 2024 | 1 | 3 | 4 | | 2021 | 0 | 8 | 8 | | 2020 | 0 | 3 | 3 | | 2019 | 1 | 3 | 4 | | 2018 | 2 | 6 | 8 | | 2017 | 4 | 6 | 10 | | 2016 | 0 | 6 | 6 | | 2015 | 0 | 10 | 10 | | 2014 | 2 | 5 | 7 | | 2013 | 2 | 5 | 7 | | 2012 | 0 | 8 | 8 | | 2011 | 0 | 6 | 6 | | 2010 | 1 | 1 | 2 | | 2009 | 0 | 11 | 11 | | 2008 | 0 | 6 | 6 | | 2007 | 1 | 15 | 16 | | 2006 | 2 | 18 | 20 | | 2005 | 2 | 9 | 11 | | 2004 | 1 | 4 | 5 | | 2003 | 0 | 9 | 9 | | 2002 | 0 | 5 | 5 | | 2001 | 0 | 3 | 3 | | 2000 | 1 | 6 | 7 | | 1999 | 0 | 2 | 2 | | 1998 | 0 | 1 | 1 | | 1997 | 0 | 4 | 4 | | 1995 | 0 | 3 | 3 | | 1994 | 1 | 1 | 2 | | 1990 | 0 | 1 | 1 |
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Below are the most recent publications written about "Models, Molecular" by people in Profiles over the past ten years.
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Srivastava S, Sekar G, Ojoawo A, Aggarwal A, Ferreira E, Uchikawa E, Yang M, Grace CR, Dey R, Lin YL, Guibao CD, Jayaraman S, Mukherjee S, Kossiakoff AA, Dong B, Myasnikov A, Moldoveanu T. Structural basis of BAK sequestration by MCL-1 in apoptosis. Mol Cell. 2025 Apr 17; 85(8):1606-1623.e10.
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He X, Yun MK, Li Z, Waddell MB, Nourse A, Churion KA, Kreuzer KN, Byrd AK, White SW. Structural and functional insights into the interaction between the bacteriophage T4 DNA processing proteins gp32 and Dda. Nucleic Acids Res. 2024 Nov 11; 52(20):12748-12762.
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Klimtchuk ES, Prokaeva T, Spencer BH, Wong S, Ghosh S, Urdaneta A, Morgan G, Wales TE, Gursky O. Conformational Differences in the Light Chain Constant Domain of Immunoglobulin G and Free Light Chain May Influence Proteolysis in AL Amyloidosis. J Mol Biol. 2024 Dec 01; 436(23):168837.
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Hong Z, Byrd AK, Gao J, Das P, Tan VQ, Malone EG, Osei B, Marecki JC, Protacio RU, Wahls WP, Raney KD, Song H. Eukaryotic Pif1 helicase unwinds G-quadruplex and dsDNA using a conserved wedge. Nat Commun. 2024 Jul 19; 15(1):6104.
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Ippel H, Miller MC, Dings RPM, Ludwig AK, Gabius HJ, Mayo KH. Cysteine Oxidation in Human Galectin-1 Occurs Sequentially via a Folded Intermediate to a Fully Oxidized Unfolded Form. Int J Mol Sci. 2024 Jun 25; 25(13).
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Sadeghi S, Kalhor H, Panahi M, Abolhasani H, Rahimi B, Kalhor R, Mehrabi A, Vahdatinia M, Rahimi H. Keratinocyte growth factor in focus: A comprehensive review from structural and functional aspects to therapeutic applications of palifermin. Int J Biol Macromol. 2021 Nov 30; 191:1175-1190.
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Xie SC, Metcalfe RD, Mizutani H, Puhalovich T, Hanssen E, Morton CJ, Du Y, Dogovski C, Huang SC, Ciavarri J, Hales P, Griffin RJ, Cohen LH, Chuang BC, Wittlin S, Deni I, Yeo T, Ward KE, Barry DC, Liu B, Gillett DL, Crespo-Fernandez BF, Ottilie S, Mittal N, Churchyard A, Ferguson D, Aguiar ACC, Guido RVC, Baum J, Hanson KK, Winzeler EA, Gamo FJ, Fidock DA, Baud D, Parker MW, Brand S, Dick LR, Griffin MDW, Gould AE, Tilley L. Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc Natl Acad Sci U S A. 2021 09 28; 118(39).
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West AP, Wertheim JO, Wang JC, Vasylyeva TI, Havens JL, Chowdhury MA, Gonzalez E, Fang CE, Di Lonardo SS, Hughes S, Rakeman JL, Lee HH, Barnes CO, Gnanapragasam PNP, Yang Z, Gaebler C, Caskey M, Nussenzweig MC, Keeffe JR, Bjorkman PJ. Detection and characterization of the SARS-CoV-2 lineage B.1.526 in New York. Nat Commun. 2021 08 09; 12(1):4886.
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Muecksch F, Weisblum Y, Barnes CO, Schmidt F, Schaefer-Babajew D, Wang Z, C Lorenzi JC, Flyak AI, DeLaitsch AT, Huey-Tubman KE, Hou S, Schiffer CA, Gaebler C, Da Silva J, Poston D, Finkin S, Cho A, Cipolla M, Oliveira TY, Millard KG, Ramos V, Gazumyan A, Rutkowska M, Caskey M, Nussenzweig MC, Bjorkman PJ, Hatziioannou T, Bieniasz PD. Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity. 2021 08 10; 54(8):1853-1868.e7.
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Greaney AJ, Starr TN, Barnes CO, Weisblum Y, Schmidt F, Caskey M, Gaebler C, Cho A, Agudelo M, Finkin S, Wang Z, Poston D, Muecksch F, Hatziioannou T, Bieniasz PD, Robbiani DF, Nussenzweig MC, Bjorkman PJ, Bloom JD. Mapping mutations to the SARS-CoV-2 RBD that escape binding by different classes of antibodies. Nat Commun. 2021 07 07; 12(1):4196.
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Ketkar A, Smith L, Johnson C, Richey A, Berry M, Hartman JH, Maddukuri L, Reed MR, Gunderson JEC, Leung JWC, Eoff RL. Human Rev1 relies on insert-2 to promote selective binding and accurate replication of stabilized G-quadruplex motifs. Nucleic Acids Res. 2021 02 26; 49(4):2065-2084.
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Brosey CA, Houl JH, Katsonis P, Balapiti-Modarage LPF, Bommagani S, Arvai A, Moiani D, Bacolla A, Link T, Warden LS, Lichtarge O, Jones DE, Ahmed Z, Tainer JA. Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog Biophys Mol Biol. 2021 08; 163:171-186.
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Wang Z, Schmidt F, Weisblum Y, Muecksch F, Barnes CO, Finkin S, Schaefer-Babajew D, Cipolla M, Gaebler C, Lieberman JA, Oliveira TY, Yang Z, Abernathy ME, Huey-Tubman KE, Hurley A, Turroja M, West KA, Gordon K, Millard KG, Ramos V, Da Silva J, Xu J, Colbert RA, Patel R, Dizon J, Unson-O'Brien C, Shimeliovich I, Gazumyan A, Caskey M, Bjorkman PJ, Casellas R, Hatziioannou T, Bieniasz PD, Nussenzweig MC. mRNA vaccine-elicited antibodies to SARS-CoV-2 and circulating variants. Nature. 2021 04; 592(7855):616-622.
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Schnetler R, Fanucchi S, Moldoveanu T, Koorsen G. Linker Histone H1.2 Directly Activates BAK through the K/RVVKP Motif on the C-Terminal Domain. Biochemistry. 2020 09 15; 59(36):3332-3346.
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Tang H, Porras G, Brown MM, Chassagne F, Lyles JT, Bacsa J, Horswill AR, Quave CL. Triterpenoid acids isolated from Schinus terebinthifolia fruits reduce Staphylococcus aureus virulence and abate dermonecrosis. Sci Rep. 2020 05 15; 10(1):8046.
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Moccia M, Frett B, Zhang L, Lakkaniga NR, Briggs DC, Chauhan R, Brescia A, Federico G, Yan W, Santoro M, McDonald NQ, Li HY, Carlomagno F. Bioisosteric Discovery of NPA101.3, a Second-Generation RET/VEGFR2 Inhibitor Optimized for Single-Agent Polypharmacology. J Med Chem. 2020 05 14; 63(9):4506-4516.
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Balasubramaniam M, Parcon PA, Bose C, Liu L, Jones RA, Farlow MR, Mrak RE, Barger SW, Griffin WST. Interleukin-1? drives NEDD8 nuclear-to-cytoplasmic translocation, fostering parkin activation via NEDD8 binding to the P-ubiquitin activating site. J Neuroinflammation. 2019 Dec 27; 16(1):275.
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Harkey T, Govind Kumar V, Hettige J, Tabari SH, Immadisetty K, Moradi M. The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2. Sci Rep. 2019 10 08; 9(1):14451.
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Soldovieri MV, Ambrosino P, Mosca I, Miceli F, Franco C, Canzoniero LMT, Kline-Fath B, Cooper EC, Venkatesan C, Taglialatela M. Epileptic Encephalopathy In A Patient With A Novel Variant In The Kv7.2 S2 Transmembrane Segment: Clinical, Genetic, and Functional Features. Int J Mol Sci. 2019 Jul 10; 20(14).
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Feng H, Bao S, Rahman MA, Weyn-Vanhentenryck SM, Khan A, Wong J, Shah A, Flynn ED, Krainer AR, Zhang C. Modeling RNA-Binding Protein Specificity In?Vivo by Precisely Registering Protein-RNA Crosslink Sites. Mol Cell. 2019 06 20; 74(6):1189-1204.e6.
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Davis MA, Barnette DA, Flynn NR, Pidugu AS, Swamidass SJ, Boysen G, Miller GP. CYP2C19 and 3A4 Dominate Metabolic Clearance and Bioactivation of Terbinafine Based on Computational and Experimental Approaches. Chem Res Toxicol. 2019 06 17; 32(6):1151-1164.
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Zweier M, Begemann A, McWalter K, Cho MT, Abela L, Banka S, Behring B, Berger A, Brown CW, Carneiro M, Chen J, Cooper GM, Finnila CR, Guillen Sacoto MJ, Henderson A, H?ffmeier U, Joset P, Kerr B, Lesca G, Leszinski GS, McDermott JH, Meltzer MR, Monaghan KG, Mostafavi R, ?unap K, Plecko B, Powis Z, Purcarin G, Reimand T, Riedhammer KM, Schreiber JM, Sirsi D, Wierenga KJ, Wojcik MH, Papuc SM, Steindl K, Sticht H, Rauch A. Spatially clustering de novo variants in CYFIP2, encoding the cytoplasmic FMRP interacting protein 2, cause intellectual disability and seizures. Eur J Hum Genet. 2019 05; 27(5):747-759.
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Pisupati A, Mickolajczyk KJ, Horton W, van Rossum DB, Anishkin A, Chintapalli SV, Li X, Chu-Luo J, Busey G, Hancock WO, Jegla T. The S6 gate in regulatory Kv6 subunits restricts heteromeric K+ channel stoichiometry. J Gen Physiol. 2018 12 03; 150(12):1702-1721.
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Balasubramaniam M, Ayyadevara S, Shmookler Reis RJ. Structural insights into pro-aggregation effects of C. elegans CRAM-1 and its human ortholog SERF2. Sci Rep. 2018 10 05; 8(1):14891.
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Majcher U, Urbaniak A, Maj E, Moshari M, Delgado M, Wietrzyk J, Bartl F, Chambers TC, Tuszynski JA, Huczynski A. Synthesis, antiproliferative activity and molecular docking of thiocolchicine urethanes. Bioorg Chem. 2018 12; 81:553-566.
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Caviness P, Bauer R, Tanaka K, Janowska K, Roeser JR, Harter D, Sanders J, Ruth C, Matsushita O, Sakon J. Ca2+ -induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation. FEBS J. 2018 09; 285(17):3254-3269.
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Janganati V, Ponder J, Balasubramaniam M, Bhat-Nakshatri P, Bar EE, Nakshatri H, Jordan CT, Crooks PA. MMB triazole analogs are potent NF-?B inhibitors and anti-cancer agents against both hematological and solid tumor cells. Eur J Med Chem. 2018 Sep 05; 157:562-581.
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Slavov SH, Stoyanova-Slavova I, Mattes W, Beger RD, Br?schweiler BJ. Computational identification of structural factors affecting the mutagenic potential of aromatic amines: study design and experimental validation. Arch Toxicol. 2018 07; 92(7):2369-2384.
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Kaur G, Cholia RP, Joshi G, Amrutkar SM, Kalra S, Mantha AK, Banerjee UC, Kumar R. Anticancer activity of dihydropyrazolo[1,5-c]quinazolines against rat C6 glioma cells via inhibition of topoisomerase II. Arch Pharm (Weinheim). 2018 Jun; 351(6):e1800023.
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Prakash D, Walters KA, Martinie RJ, McCarver AC, Kumar AK, Lessner DJ, Krebs C, Golbeck JH, Ferry JG. Toward a mechanistic and physiological understanding of a ferredoxin:disulfide reductase from the domains Archaea and Bacteria. J Biol Chem. 2018 06 15; 293(24):9198-9209.
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Katoli P, Godbole A, Romanowski MJ, Clark K, Meredith E, Saenz-Vash V, Wang YK, Lewicki N, Nguyen AA, Lynch JM. Full-length myocilin protein is purified from mammalian cells as a dimer. Protein Expr Purif. 2018 07; 147:38-48.
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Dang NL, Hughes TB, Miller GP, Swamidass SJ. Computationally Assessing the Bioactivation of Drugs by N-Dealkylation. Chem Res Toxicol. 2018 02 19; 31(2):68-80.
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Parcon PA, Balasubramaniam M, Ayyadevara S, Jones RA, Liu L, Shmookler Reis RJ, Barger SW, Mrak RE, Griffin WST. Apolipoprotein E4 inhibits autophagy gene products through direct, specific binding to CLEAR motifs. Alzheimers Dement. 2018 02; 14(2):230-242.
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Byrd AK, Raney KD. Structure and function of Pif1 helicase. Biochem Soc Trans. 2017 Oct 15; 45(5):1159-1171.
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Braun DA, Rao J, Mollet G, Schapiro D, Daugeron MC, Tan W, Gribouval O, Boyer O, Revy P, Jobst-Schwan T, Schmidt JM, Lawson JA, Schanze D, Ashraf S, Ullmann JFP, Hoogstraten CA, Boddaert N, Collinet B, Martin G, Liger D, Lovric S, Furlano M, Guerrera IC, Sanchez-Ferras O, Hu JF, Boschat AC, Sanquer S, Menten B, Vergult S, De Rocker N, Airik M, Hermle T, Shril S, Widmeier E, Gee HY, Choi WI, Sadowski CE, Pabst WL, Warejko JK, Daga A, Basta T, Matejas V, Scharmann K, Kienast SD, Behnam B, Beeson B, Begtrup A, Bruce M, Ch'ng GS, Lin SP, Chang JH, Chen CH, Cho MT, Gaffney PM, Gipson PE, Hsu CH, Kari JA, Ke YY, Kiraly-Borri C, Lai WM, Lemyre E, Littlejohn RO, Masri A, Moghtaderi M, Nakamura K, Ozaltin F, Praet M, Prasad C, Prytula A, Roeder ER, Rump P, Schnur RE, Shiihara T, Sinha MD, Soliman NA, Soulami K, Sweetser DA, Tsai WH, Tsai JD, Topaloglu R, Vester U, Viskochil DH, Vatanavicharn N, Waxler JL, Wierenga KJ, Wolf MTF, Wong SN, Leidel SA, Truglio G, Dedon PC, Poduri A, Mane S, Lifton RP, Bouchard M, Kannu P, Chitayat D, Magen D, Callewaert B, van Tilbeurgh H, Zenker M, Antignac C, Hildebrandt F. Mutations in KEOPS-complex genes cause nephrotic syndrome with primary microcephaly. Nat Genet. 2017 Oct; 49(10):1529-1538.
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Eoff RL, Raney KD. A catch and release program for single-stranded DNA. J Biol Chem. 2017 08 04; 292(31):13085-13086.
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Slavov S, Stoyanova-Slavova I, Li S, Zhao J, Huang R, Xia M, Beger R. Why are most phospholipidosis inducers also hERG blockers? Arch Toxicol. 2017 Dec; 91(12):3885-3895.
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Scanlon DP, Bah A, Krzeminski M, Zhang W, Leduc-Pessah HL, Dong YN, Forman-Kay JD, Salter MW. An evolutionary switch in ND2 enables Src kinase regulation of NMDA receptors. Nat Commun. 2017 05 16; 8:15220.
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Bae N, Viviano M, Su X, Lv J, Cheng D, Sagum C, Castellano S, Bai X, Johnson C, Khalil MI, Shen J, Chen K, Li H, Sbardella G, Bedford MT. Developing Spindlin1 small-molecule inhibitors by using protein microarrays. Nat Chem Biol. 2017 Jul; 13(7):750-756.
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Griffin WC, Gao J, Byrd AK, Chib S, Raney KD. A biochemical and biophysical model of G-quadruplex DNA recognition by positive coactivator of transcription 4. J Biol Chem. 2017 06 09; 292(23):9567-9582.
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Shwab EK, Juvvadi PR, Waitt G, Soderblom EJ, Moseley MA, Nicely NI, Asfaw YG, Steinbach WJ. A Novel Phosphoregulatory Switch Controls the Activity and Function of the Major Catalytic Subunit of Protein Kinase A in Aspergillus fumigatus. mBio. 2017 02 07; 8(1).
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Stoyanova-Slavova IB, Slavov SH, Buzatu DA, Beger RD, Wilkes JG. 3D-SDAR modeling of hERG potassium channel affinity: A case study in model design and toxicophore identification. J Mol Graph Model. 2017 03; 72:246-255.
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Su Z, Wang F, Lee JH, Stephens KE, Papazyan R, Voronina E, Krautkramer KA, Raman A, Thorpe JJ, Boersma MD, Kuznetsov VI, Miller MD, Taverna SD, Phillips GN, Denu JM. Reader domain specificity and lysine demethylase-4 family function. Nat Commun. 2016 11 14; 7:13387.
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Millichap JJ, Miceli F, De Maria M, Keator C, Joshi N, Tran B, Soldovieri MV, Ambrosino P, Shashi V, Mikati MA, Cooper EC, Taglialatela M. Infantile spasms and encephalopathy without preceding neonatal seizures caused by KCNQ2 R198Q, a gain-of-function variant. Epilepsia. 2017 01; 58(1):e10-e15.
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Miller JM, Enemark EJ. Fundamental Characteristics of AAA+ Protein Family Structure and Function. Archaea. 2016; 2016:9294307.
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Balasubramanian A, Manzano M, Teramoto T, Pilankatta R, Padmanabhan R. High-throughput screening for the identification of small-molecule inhibitors of the flaviviral protease. Antiviral Res. 2016 10; 134:6-16.
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Meagher M, Enemark EJ. Structure of a double hexamer of the Pyrococcus furiosus minichromosome maintenance protein N-terminal domain. Acta Crystallogr F Struct Biol Commun. 2016 07; 72(Pt 7):545-51.
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Culbertson AT, Tietze AA, Tietze D, Chou YH, Smith AL, Young ZT, Zabotina OA. A homology model of Xyloglucan Xylosyltransferase 2 reveals critical amino acids involved in substrate binding. Glycobiology. 2016 09; 26(9):961-972.
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Yeom M, Kim IH, Kim JK, Kang K, Eoff RL, Guengerich FP, Choi JY. Effects of Twelve Germline Missense Variations on DNA Lesion and G-Quadruplex Bypass Activities of Human DNA Polymerase REV1. Chem Res Toxicol. 2016 Mar 21; 29(3):367-79.
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Thakkar S, Wang X, Khaidakov M, Dai Y, Gokulan K, Mehta JL, Varughese KI. Structure-based Design Targeted at LOX-1, a Receptor for Oxidized Low-Density Lipoprotein. Sci Rep. 2015 Nov 18; 5:16740.
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Stockler-Ipsiroglu S, Apatean D, Battini R, DeBrosse S, Dessoffy K, Edvardson S, Eichler F, Johnston K, Koeller DM, Nouioua S, Tazir M, Verma A, Dowling MD, Wierenga KJ, Wierenga AM, Zhang V, Wong LJ. Arginine:glycine amidinotransferase (AGAT) deficiency: Clinical features and long term outcomes in 16 patients diagnosed worldwide. Mol Genet Metab. 2015 Dec; 116(4):252-9.
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Miller JM, Enemark EJ. Archaeal MCM Proteins as an Analog for the Eukaryotic Mcm2-7 Helicase to Reveal Essential Features of Structure and Function. Archaea. 2015; 2015:305497.
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Froelich CA, Nourse A, Enemark EJ. MCM ring hexamerization is a prerequisite for DNA-binding. Nucleic Acids Res. 2015 Oct 30; 43(19):9553-63.
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Chouchane K, Vendrely C, Amari M, Moreaux K, Bruckert F, Weidenhaupt M. Dual Effect of (LK)nL Peptides on the Onset of Insulin Amyloid Fiber Formation at Hydrophobic Surfaces. J Phys Chem B. 2015 Aug 20; 119(33):10543-53.
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