Niel M. Henriksen

Biochemistry, Genetics and Molecular Biology · Life Sciences

24h-index1.9kcitations54works10.82yr avg
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Research Topics

Protein Structure and Dynamics(20), RNA and protein synthesis mechanisms(8), Crystallography and molecular interactions(7), Spectroscopy and Quantum Chemical Studies(7), Mass Spectrometry Techniques and Applications(5)

Publications54 total

AI-based discovery and cryoEM structural elucidation of a KATP channel pharmacochaperone
eLife·2025Open Access
Author response: AI-based discovery and cryoEM structural elucidation of a KATP channel pharmacochaperone
2025Open Access
AI-Based Discovery and CryoEM Structural Elucidation of a KATP Channel Pharmacochaperone
2025Open Access
Author response: AI-Based Discovery and CryoEM Structural Elucidation of a KATP Channel Pharmacochaperone
2025Open Access
AI-Based Discovery and CryoEM Structural Elucidation of a KATP Channel Pharmacochaperone
2024· 1 citedOpen Access
AI-based discovery and cryoEM structural elucidation of a KATP channel pharmacochaperone
eLife·2024· 3 citedOpen Access
Author Correction: AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports·2024· 1 citedOpen Access
AI-Based Discovery and CryoEM Structural Elucidation of a K <sub>ATP</sub> Channel Pharmacochaperone
2024Open Access
AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications
ACS Medicinal Chemistry Letters·2024· 2 citedOpen Access
Synthesis and Evaluation of 1,3-Disubstituted Imidazolidine-2,4,5-triones as Inhibitors of Pyruvate Carboxylase
ACS Medicinal Chemistry Letters·2024· 5 citedOpen Access
AI is a viable alternative to high throughput screening: a 318-target study
Scientific Reports·2024· 107 citedOpen Access
Identification of anti-pathogenic activity among in silico predicted small-molecule inhibitors of Pseudomonas aeruginosa LasR or nitric oxide reductase (NOR)
Drug Target Insights·2023· 2 citedOpen Access
Identification of anti-pathogenic activity among <i>in silico</i> predicted small molecule inhibitors of <i>Pseudomonas aeruginosa</i> LasR or Nitric Oxide Reductase (NOR)
2023Open Access
Front Cover: Development of Enterovirus Antiviral Agents That Target the Viral 2C Protein (ChemMedChem 10/2023)
ChemMedChem·2023Open Access
Development of Enterovirus Antiviral Agents That Target the Viral 2C Protein
ChemMedChem·2023· 8 cited
Development of Enterovirus anti-viral agents that target the viral 2C protein
2022Open Access
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Journal of Computer-Aided Molecular Design·2020· 136 citedOpen Access
Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters
Journal of Chemical Theory and Computation·2020· 34 cited
Binding Thermodynamics of Host–Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative
Journal of Chemical Theory and Computation·2019· 34 citedOpen Access
The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations
2019· 22 citedOpen Access
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Frequent Co-authors

Michael K. Gilson(28), Thomas E. Cheatham(9), David R. Slochower(8), David L. Mobley(8), Jian Yin(7), Ha H. Truong(7), Hari S. Muddana(7), Lee‐Ping Wang(7), John D. Chodera(6), Assmaa ElSheikh(5), Camden Driggers(5), Zhongying Yang(5), John F. Allen(5), Katarzyna Walczewska-Szewc(5), Show‐Ling Shyng(5), Andrew T. Fenley(4), Bryan D. Cox(4), Michael R. Shirts(3), Daniel R. Roe(3), Germano Heinzelmann(3)