| Evaluation of AlphaFold2 structures as docking targets M Holcomb, YT Chang, DS Goodsell, S Forli Protein Science 32 (1), e4530, 2023 | 62 | 2023 |
| Progress toward a semi-synthetic organism with an unrestricted expanded genetic alphabet VT Dien, M Holcomb, AW Feldman, EC Fischer, TJ Dwyer, FE Romesberg Journal of the American Chemical Society 140 (47), 16115-16123, 2018 | 49 | 2018 |
| Orphan receptor GPR158 serves as a metabotropic glycine receptor: mGlyR T Laboute, S Zucca, M Holcomb, DN Patil, C Garza, BA Wheatley, RN Roy, ... Science 379 (6639), 1352-1358, 2023 | 40 | 2023 |
| Copper-catalyzed chan–lam cyclopropylation of phenols and azaheterocycles J Derosa, ML O’Duill, M Holcomb, MN Boulous, RL Patman, F Wang, ... The Journal of organic chemistry 83 (7), 3417-3425, 2018 | 35 | 2018 |
| Stretching peptides to generate small molecule β-strand mimics ZC Adams, AP Silvestri, S Chiorean, DT Flood, BP Balo, Y Shi, ... ACS Central Science 9 (4), 648-656, 2023 | 17 | 2023 |
| Eight-letter DNA VT Dien, M Holcomb, FE Romesberg Biochemistry 58 (22), 2581-2583, 2019 | 15 | 2019 |
| Topological Evidence of Previously Overlooked Ni+1–H···Ni H-Bonds and Their Contribution to Protein Structure and Stability M Holcomb, R Adhikary, J Zimmermann, FE Romesberg The Journal of Physical Chemistry A 122 (1), 446-450, 2018 | 14 | 2018 |
| Initial analysis of the arylomycin D antibiotics YX Tan, DS Peters, SI Walsh, M Holcomb, D Santos-Martins, S Forli, ... Journal of Natural Products 83 (7), 2112-2121, 2020 | 12 | 2020 |
| Conformational heterogeneity and DNA recognition by the morphogen bicoid R Adhikary, YX Tan, J Liu, J Zimmermann, M Holcomb, C Yvellez, ... Biochemistry 56 (22), 2787-2793, 2017 | 12 | 2017 |
| Direct observation of peptide hydrogel self-assembly ZC Adams, EJ Olson, TL Lopez-Silva, Z Lian, AY Kim, M Holcomb, ... Chemical Science 13 (34), 10020-10028, 2022 | 11 | 2022 |
| Assessing the Perturbing Effects of Drugs on Lipid Bilayers Using Gramicidin Channel-Based In Silico and In Vitro Assays D Sun, TA Peyear, WFD Bennett, M Holcomb, S He, F Zhu, FC Lightstone, ... Journal of Medicinal Chemistry 63 (20), 11809-11818, 2020 | 11 | 2020 |
| Performance evaluation of flexible macrocycle docking in AutoDock M Holcomb, D Santos-Martins, AF Tillack, S Forli QRB discovery 3, e18, 2022 | 9 | 2022 |
| Reactive Docking: a computational method for high-throughput virtual screenings of reactive species G Bianco, M Holcomb, D Santos-Martins, A Tillack, A Hansel-Harris, ... Journal of chemical information and modeling 63 (17), 5631-5640, 2023 | 2 | 2023 |
| CosolvKit: a versatile tool for cosolvent MD preparation and analysis N Bruciaferri, J Eberhardt, MA Llanos, JR Loeffler, M Holcomb, ... Journal of Chemical Information and Modeling 64 (21), 8227-8235, 2024 | 1 | 2024 |
| Stretching Peptides ZC Adams, AP Silvestri, S Chiorean, BP Balo, Y Shi, M Holcomb, SI Walsh, ... | 1 | 2022 |
| IP6, PF74 affect HIV-1 capsid stability through modulation of hexamer-hexamer tilt angle preference CM Garza, M Holcomb, D Santos-Martins, BE Torbett, S Forli Biophysical Journal 124 (2), 417-427, 2025 | | 2025 |
| CIAA: Integrated Proteomics and Structural Modeling for Understanding Cysteine Reactivity with Iodoacetamide Alkyne L Boatner, J Eberhardt, F Shikwana, M Holcomb, P Lee, K Houk, S Forli, ... | | 2025 |
| An mRNA Display Approach for Covalent Targeting of a Staphylococcus aureus Virulence Factor S Wang, EC Woods, J Jo, J Zhu, A Hansel-Harris, M Holcomb, ... bioRxiv, 2024 | | 2024 |
| Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance A Hansel-Harris, A Tillack, D Santos-Martins, M Holcomb, S Forli | | 2024 |
| Synergy of machine learning and density functional theory calculations for predicting experimental Lewis base affinity and Lewis polybase binding atoms H Huynh, K Le, L Vu, T Nguyen, M Holcomb, S Forli, H Phan Journal of Computational Chemistry 45 (18), 1552-1561, 2024 | | 2024 |
