| 1 |
Role of miR-2392 in driving SARS-CoV-2 infection
John Tyson McDonald et al. · Cell Reports
Open access |
30 Sep 2021 |
103 |
| 2 |
Feature Selection and Classification of MAQC-II Breast Cancer and Multiple Myeloma Microarray Gene Expression Data
Qingzhong Liu, Andrew H. Sung, Zhongxue Chen et al. · PLoS ONE
Open access |
10 Dec 2009 |
93 |
| 3 |
Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics programDivConinto thePHENIXrefinement package
Oleg Ya. Borbulevych, Joshua A. Plumley, Roger I. Martin et al. · Acta Crystallographica Section D Biological Crystallography
Open access |
26 Apr 2014 |
53 |
| 4 |
Pairwise Decomposition of Residue Interaction Energies Using Semiempirical Quantum Mechanical Methods in Studies of Protein−Ligand Interaction
Kaushik Raha, Arjan van der Vaart, Kevin E. Riley et al. · Journal of the American Chemical Society
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15 Apr 2005 |
45 |
| 5 |
A Critical Assessment of the Performance of Protein−Ligand Scoring Functions Based on NMR Chemical Shift Perturbations
Bing Wang, Lance M. Westerhoff, Kenneth M. Merz · Journal of Medicinal Chemistry
Open access |
15 Sep 2007 |
34 |
| 6 |
High-throughput quantum-mechanics/molecular-mechanics (ONIOM) macromolecular crystallographic refinement withPHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure
Oleg Ya. Borbulevych, Roger I. Martin, Lance M. Westerhoff · Acta Crystallographica Section D Structural Biology
Open access |
29 Oct 2018 |
27 |
| 7 |
Photoactivated Indium Phosphide Quantum Dots Treat Multidrug-Resistant Bacterial Abscesses In Vivo
Colleen R. McCollum, John R. Bertram, Prashant Nagpal et al. · ACS Applied Materials & Interfaces
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22 Jun 2021 |
26 |
| 8 |
Free Energy Calculations Using the Movable Type Method with Molecular Dynamics Driven Protein–Ligand Sampling
Wenlang Liu, Zhenhao Liu, Hao Liu et al. · Journal of Chemical Information and Modeling
Open access |
25 Oct 2022 |
25 |
| 9 |
The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design
Oleg Ya. Borbulevych, Roger I. Martin, Lance M. Westerhoff · Journal of Computer-Aided Molecular Design
Open access |
27 Oct 2020 |
25 |
| 10 |
OLEX2– a complete package for molecular crystallography
H. Puschmann, Luc J. Bourhis, Oleg V. Dolomanov et al. · Acta Crystallographica Section A Foundations of Crystallography
Open access |
22 Aug 2011 |
24 |
| 11 |
XModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement
Oleg Ya. Borbulevych, Roger I. Martin, Ian J. Tickle et al. · Acta Crystallographica Section D Structural Biology
Open access |
30 Mar 2016 |
19 |
| 12 |
Computational alanine scanning with linear scaling semiempirical quantum mechanical methods
David Diller, Christine C. Humblet, Xiaohua Zhang et al. · Proteins Structure Function and Bioinformatics
Open access |
12 Apr 2010 |
19 |
| 13 |
Quantum Mechanical Pairwise Decomposition Analysis of Protein Kinase B Inhibitors: Validating a New Tool for Guiding Drug Design
Xiaohua Zhang, Alan C. Gibbs, Charles H. Reynolds et al. · Journal of Chemical Information and Modeling
Open access |
5 Mar 2010 |
18 |
| 14 |
Photoexcited Quantum Dots as Efficacious and Nontoxic Antibiotics in an Animal Model
Colleen R. McCollum, Max Levy, John R. Bertram et al. · ACS Biomaterials Science & Engineering
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12 Jan 2021 |
16 |
| 15 |
Light-activated quantum dot potentiation of antibiotics to treat drug-resistant bacterial biofilms
Dana F. Stamo, Prashant Nagpal, Anushree Chatterjee · Nanoscale Advances
Open access |
2021 |
10 |
| 16 |
Reducing the In-Vitro Electromagnetic Field Effect of Cellular Phones on Human DNA and the Intensity of Their Emitted Radiation
M. Syldona · Acupuncture & Electro-Therapeutics Research
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Feb 2007 |
8 |
| 17 |
Targeted learning in observational studies with multi‐valued treatments: An evaluation of antipsychotic drug treatment safety
Jason Poulos, Marcela Horvitz‐Lennon, Katya Zelevinsky et al. · Statistics in Medicine
Open access |
5 Feb 2024 |
7 |
| 18 |
The Great Deceiver: miR-2392’s Hidden Role in Driving SARS-CoV-2 Infection
Jackie McDonald et al. · bioRxiv (Cold Spring Harbor Laboratory)
PreprintOpen access |
23 Apr 2021 |
7 |
| 19 |
MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment
Zheng Zheng, Oleg Ya. Borbulevych, Hao Liu et al. · Journal of Chemical Information and Modeling
Open access |
13 Aug 2020 |
7 |
| 20 |
Beyond the front page: In‐text citations to patents as traces of inventor knowledge
Cyril Verluise, Gabriele Cristelli, Kyle Higham et al. · Strategic Management Journal
Open access |
22 Oct 2025 |
4 |
| 21 |
11th German Conference on Chemoinformatics (GCC 2015)
Uli Fechner et al. · Journal of Cheminformatics
Open access260 authors |
Apr 2016 |
3 |
| 22 |
Full matrix refinement with the small molecule toolbox
Luc J. Bourhis, Oleg V. Dolomanov, Richard J. Gildea et al. · Acta Crystallographica Section A Foundations of Crystallography
Open access |
22 Aug 2011 |
3 |
| 23 |
Integration of Ultra-High-Resolution Nano Tracers in Flow Diagnostics with a Multi-Stage Completion Program for Post-Frac Flow Assurance, Fault Evaluation and Well Spacing Optimization in Eagle Ford Shale
R. C. B. de Melo, Madhav Manohar, Talgat Shokanov et al.
Conference paper |
3 Nov 2024 |
2 |
| 24 |
Incorporation of the quantum chemical packageDivConinto thePHENIXsuite
O. Borbulevych, Kenneth M. Merz, Lance M. Westerhoff · Acta Crystallographica Section A Foundations of Crystallography
Open access |
22 Aug 2011 |
2 |
| 25 |
Loss of T Cell Antigen Recognition Arising from Changes in Peptide and Major Histocompatibility Complex Protein Flexibility: Implications for Vaccine Design
Francis Kobina Insaidoo, Oleg Ya. Borbulevych, Moushumi Hossain et al. · Biophysical Journal
Open access |
2013 |
2 |
| 26 |
Experimental Validation of Dequantization of Hybrid Quantum Machine Learning Models Using Classical Surrogates
Sparsh Mittal, Mintu Kumar, Yash Chand et al.
Conference paper |
8 Oct 2025 |
1 |
| 27 |
Threats Posed by Quantum Computers to State-of-the-Art Encryption Schemes
Rajiv Krishnakumar · SSRN Electronic Journal
PreprintOpen access |
2025 |
1 |
| 28 |
Fast, Routine Free Energy of Binding Estimation Using MovableType
Lance M. Westerhoff, Zheng Zheng · ACS symposium series
Conference paper |
19 Nov 2021 |
1 |
| 29 |
Deriving Immune-Modulating Peptides from Viral Serine Protease Inhibitors (Serpins)
Jordan R. Yaron, Liqiang Zhang, Michelle Burgin et al. · Methods in molecular biology
Book chapter |
27 Oct 2020 |
1 |
| 30 |
Unleashing the Power of Smart Particles for Completion Diagnostics: Advancing the Production Flow Profiling Technology with Sub-Atomic Fingerprints and Big Data Analytics
Talgat Shokanov, Pavel Khudorozhkov, Adilkhan K. Shokanov · SPE Annual Technical Conference and Exhibition
Conference paper |
18 Sep 2019 |
1 |
| 31 |
Accurate Determination of Tautomeric/Protonation States in Quantum-Mechanic Driven Macromolecular Crystallographic Refinement
Oleg Ya. Borbulevych, Lance M. Westerhoff · Biophysical Journal
Open access |
2015 |
1 |
| 32 |
Extreme learning machines for attention-based multiple instance learning in whole-slide image classification
Rajiv Krishnakumar, Julien Baglio, Frederik F. Flöther et al. · Machine Learning Health
Open access |
29 Jul 2026 |
0 |
| 33 |
Regulatory Measures on Goods and Services in the Quantum Computing Industry
Yelena Guryanova, Amin Alavi · SSRN Electronic Journal
PreprintOpen access |
2025 |
0 |
| 34 |
Introduction
Ralph E. Christoffersen · International Journal of Quantum Chemistry
Open access |
Jul 1979 |
0 |
| 35 |
Locating H atoms: active-site protomer/tautomer state determination using routine macromolecular X-ray diffraction and BUSTER/DivCon
Oleg Ya. Borbulevych, Lance M. Westerhoff · Acta Crystallographica Section A Foundations and Advances
Open access |
20 Jul 2019 |
0 |
| 36 |
Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with Phenix/DivCon
Lance M. Westerhoff, Oleg Ya. Borbulevych, Zheng Zheng et al. · Acta Crystallographica Section A Foundations and Advances
Open access |
20 Jul 2018 |
0 |
| 37 |
Modern rigorous macromolecular crystallographic refinement using mixed QM/MM functional methods as implemented in DivCon
Oleg Ya. Borbulevych, Lance M. Westerhoff · Acta Crystallographica Section A Foundations and Advances
Open access |
26 May 2017 |
0 |
| 38 |
Accurate water site determination in macromolecular refinement using 3D-RSIM
Oleg Ya. Borbulevych, Jean‐François Truchon, Paul Labute et al. · Acta Crystallographica Section A Foundations and Advances
Open access |
5 Aug 2014 |
0 |
| 39 |
High-performance, quantum mechanics-based macromolecular x-ray refinement
Oleg Ya. Borbulevych, Lance M. Westerhoff · Acta Crystallographica Section A Foundations and Advances
Open access |
5 Aug 2014 |
0 |
| 40 |
The Impact of Experimental, Protein Structure on our Ability to Model Protein Function
Oleg Ya. Borbulevych, Lance M. Westerhoff · Biophysical Journal
Open access |
Feb 2016 |
0 |