David F. Hahn - Concepedia

Author

David F. Hahn

Janssen (Belgium)ORCID

Also Known As

David F. Hahn, David F Hahn, David F. Hahn, David Hahn, Hahn, David, Hahn, David F.

Publications

Citations

H-Index

Concepts

All Affiliations

Janssen (Belgium)University of California, Irvine Memorial Sloan Kettering Cancer Center University of Colorado Boulder Max Planck Institute for Multidisciplinary Sciences

About

David F. Hahn is an author at Janssen (Belgium) specializing in computational chemistry, natural sciences, and engineering.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	6	6	360
2	Natural Sciences	6	6	360
3	Chemistry	5	5	328
4	Biochemistry	3	3	144
5	Chemical Engineering	1	1	86

David F. Hahn

Publications

857

Citations

H-Index

Page 1

	Year	Citations
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field Simon Boothroyd, Pavan Kumar Behara, Owen Madin, Journal of Chemical Theory and Computation	2023	165
Development and Benchmarking of Open Force Field v1.0.0—the Parsley Small-Molecule Force Field Yudong Qiu, Daniel G. A. Smith, Simon Boothroyd, Journal of Chemical Theory and Computation EngineeringComputational ChemistryChemistryMolecular DesignSingle Molecule Biophysics	2021	163
Chemical Space Exploration with Active Learning and Alchemical Free Energies Yuriy Khalak, Gary Tresadern, David F. Hahn, Journal of Chemical Theory and Computation Drug TargetEngineeringMachine LearningChemical AnalysisHit Identification	2022	86
Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0] David F. Hahn, Christopher I. Bayly, Melissa L. Boby, Living Journal of Computational Molecular Science	2022	72
Benchmark assessment of molecular geometries and energies from small molecule force fields Victoria T. Lim, David F. Hahn, Gary Tresadern, F1000Research	2020	50
Prioritizing Small Sets of Molecules for Synthesis through <i>in‐silico</i> Tools: A Comparison of Common Ranking Methods Marko Breznik, Ge Yunhui, Joseph P. Bluck, ChemMedChem	2022	40
Current State of Open Source Force Fields in Protein–Ligand Binding Affinity Predictions David F. Hahn, Vytautas Gapsys, Bert L. de Groot, Journal of Chemical Information and Modeling	2024	39
Overcoming Orthogonal Barriers in Alchemical Free Energy Calculations: On the Relative Merits of λ-Variations, λ-Extrapolations, and Biasing David F. Hahn, Gerhard König, Philippe H. Hünenberger Journal of Chemical Theory and Computation EngineeringComputational ChemistryChemistryEnergy MinimizationMolecular Dynamics	2020	32
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach Hannah M. Baumann, Eric Dybeck, Christopher L. McClendon, Journal of Chemical Theory and Computation Free EnergyEngineeringMolecular BiologyComputational ChemistryEnergy Minimization	2023	32
Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Scientific Data	2024	29

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