Frank C. Pickard

1.6k total citations
39 papers, 1.2k citations indexed

About

Frank C. Pickard is a scholar working on Atomic and Molecular Physics, and Optics, Molecular Biology and Spectroscopy. According to data from OpenAlex, Frank C. Pickard has authored 39 papers receiving a total of 1.2k indexed citations (citations by other indexed papers that have themselves been cited), including 23 papers in Atomic and Molecular Physics, and Optics, 16 papers in Molecular Biology and 7 papers in Spectroscopy. Recurrent topics in Frank C. Pickard's work include Protein Structure and Dynamics (16 papers), Spectroscopy and Quantum Chemical Studies (15 papers) and Advanced Chemical Physics Studies (12 papers). Frank C. Pickard is often cited by papers focused on Protein Structure and Dynamics (16 papers), Spectroscopy and Quantum Chemical Studies (15 papers) and Advanced Chemical Physics Studies (12 papers). Frank C. Pickard collaborates with scholars based in United States, Germany and China. Frank C. Pickard's co-authors include Bernard R. Brooks, Andrew C. Simmonett, George C. Shields, Gerhard König, Hans Peter Reisenauer, Attila G. Császár, Wesley D. Allen, Edit Mátyus, Peter R. Schreiner and Yihan Shao and has published in prestigious journals such as Nature, The Journal of Chemical Physics and The Journal of Physical Chemistry B.

In The Last Decade

Frank C. Pickard

39 papers receiving 1.2k citations

Peers

Frank C. Pickard

AMPO

PTC

Marie L. Laury United States

Daniel G. A. Smith United States

Spencer R. Pruitt United States

Manuel Sparta Norway

Nathan Luehr United States

Debashree Ghosh India

Brina Brauer Israel

GiovanniMaria Piccini Switzerland

Hannes H. Loeffler Austria

Demian Riccardi United States

Marie L. Laury United States

Frank C. Pickard

504 ×0.9

AMPO

355 ×0.9

360 ×1.3

249 ×1.0

162 ×0.7

PTC

Citations per year, relative to Frank C. Pickard Frank C. Pickard (= 1×) peers Marie L. Laury

Countries citing papers authored by Frank C. Pickard

Since Specialization

Citations

This map shows the geographic impact of Frank C. Pickard's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Frank C. Pickard with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Frank C. Pickard more than expected).

Fields of papers citing papers by Frank C. Pickard

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Frank C. Pickard. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Frank C. Pickard. The network helps show where Frank C. Pickard may publish in the future.

Co-authorship network of co-authors of Frank C. Pickard

This figure shows the co-authorship network connecting the top 25 collaborators of Frank C. Pickard. A scholar is included among the top collaborators of Frank C. Pickard based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Frank C. Pickard. Frank C. Pickard is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Guo, Rui, Michael A. Bellucci, Matthew L. Nisbet, et al.. (2024). Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid). Molecular Pharmaceutics. 21(8). 3800–3814. 1 indexed citations

Rasouli, Ali, et al.. (2024). Essential Considerations for Free Energy Calculations of RNA–Small Molecule Complexes: Lessons from the Theophylline-Binding RNA Aptamer. Journal of Chemical Information and Modeling. 65(1). 223–239. 3 indexed citations

Liu, Yizhou, et al.. (2023). Robust fragment-based method of calculating hydrogen atom transfer activation barrier in complex molecules. Physical Chemistry Chemical Physics. 26(3). 1869–1880. 2 indexed citations

Baumann, Hannah M., Eric Dybeck, Christopher L. McClendon, et al.. (2023). Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach. Journal of Chemical Theory and Computation. 19(15). 5058–5076. 23 indexed citations

Dana, Alon Grinberg, Haoyang Wu, Duminda S. Ranasinghe, et al.. (2021). Kinetic Modeling of API Oxidation: (1) The AIBN/H ₂ O/CH ₃ OH Radical “Soup”. Molecular Pharmaceutics. 18(8). 3037–3049. 19 indexed citations

Krämer, Andreas, Frank C. Pickard, Jing Huang, et al.. (2019). Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects. Journal of Chemical Theory and Computation. 15(6). 3854–3867. 26 indexed citations

Huang, Jing, Ye Mei, Gerhard König, et al.. (2017). An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. Journal of Chemical Theory and Computation. 13(2). 679–695. 17 indexed citations

Lee, Juyong, Florentina Tofoleanu, Frank C. Pickard, et al.. (2016). Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge. Journal of Computer-Aided Molecular Design. 31(1). 71–85. 13 indexed citations

Pickard, Frank C., Gerhard König, Florentina Tofoleanu, et al.. (2016). Blind prediction of distribution in the SAMPL5 challenge with QM based protomer and pK a corrections. Journal of Computer-Aided Molecular Design. 30(11). 1087–1100. 26 indexed citations

10.

Pickard, Frank C., Gerhard König, Andrew C. Simmonett, Yihan Shao, & Bernard R. Brooks. (2016). An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations. Bioorganic & Medicinal Chemistry. 24(20). 4988–4997. 17 indexed citations

11.

König, Gerhard, Frank C. Pickard, Jing Huang, et al.. (2016). Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge. Journal of Computer-Aided Molecular Design. 30(11). 989–1006. 24 indexed citations

12.

Tofoleanu, Florentina, Juyong Lee, Frank C. Pickard, et al.. (2016). Absolute binding free energies for octa-acids and guests in SAMPL5. Journal of Computer-Aided Molecular Design. 31(1). 107–118. 13 indexed citations

13.

Pickard, Frank C., Andrew C. Simmonett, & Bernard R. Brooks. (2015). Efficient High Accuracy Non-Bonded Interactions in the CHARMM Simulation Package. Biophysical Journal. 108(2). 159a–159a. 3 indexed citations

14.

König, Gerhard, Frank C. Pickard, Ye Mei, & Bernard R. Brooks. (2014). Predicting hydration free energies with a hybrid QM/MM approach: an evaluation of implicit and explicit solvation models in SAMPL4. Journal of Computer-Aided Molecular Design. 28(3). 245–257. 63 indexed citations

15.

Ghysels, An, Benjamin T. Miller, Frank C. Pickard, & Bernard R. Brooks. (2012). Comparing normal modes across different models and scales: Hessian reduction versus coarse‐graining. Journal of Computational Chemistry. 33(28). 2250–2275. 16 indexed citations

16.

Pickard, Frank C., et al.. (2009). Characterization of the HSiNHNSi system in its electronic ground state. The Journal of Chemical Physics. 130(10). 104301–104301. 9 indexed citations

17.

Schreiner, Peter R., Hans Peter Reisenauer, Frank C. Pickard, et al.. (2008). Capture of hydroxymethylene and its fast disappearance through tunnelling. Nature. 453(7197). 906–909. 249 indexed citations

18.

Sherer, Edward C., et al.. (2008). Efficient and Accurate Characterization of the Bergman Cyclization for Several Enediynes Including an Expanded Substructure of Esperamicin A₁. The Journal of Physical Chemistry B. 112(51). 16917–16934. 15 indexed citations

19.

Pickard, Frank C., Meghan E. Dunn, Steven Feldgus, et al.. (2006). Ortho Effect in the Bergman Cyclization: Electronic and Steric Effects in Hydrogen Abstraction by 1-Substituted Naphthalene 5,8-Diradicals. The Journal of Physical Chemistry A. 110(7). 2517–2526. 41 indexed citations

20.

Shields, George C., Frank C. Pickard, & Meghan E. Dunn. (2005). Comparison of Model Chemistry and Density Functional Theory Thermochemical Predictions with Experiment for Formation of Ionic Clusters of the Ammonium Cation Complexed with Water and Ammonia; Atmospheric Implications. The Journal of Physical Chemistry. 109(22). 4905. 1 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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