Frank C Pickard Iv

8PUBLICATIONS
24CO-AUTHORS
PharmacogenomicsComputational chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical thermodynamics and energeticsAutoimmunity
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Publications (8)

|Jul 25, 2024
Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid).

Maryam Sadat Sadeghi, Rui Guo, Michael A Bellucci

|Dec 29, 2023
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation.

Bai Xue, Qingyi Yang, Qiaochu Zhang

|Apr 20, 2019
Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects.

Andreas Krämer, Frank C Pickard, Jing Huang

|Oct 24, 2018
A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes.

Gerhard König, Frank C Pickard, Jing Huang

|Feb 07, 2018
Structural Modulation of Human Amylin Protofilaments by Naturally Occurring Mutations.

Florentina Tofoleanu, Ye Yuan, Frank C Pickard

|Dec 22, 2017
Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations.

Alison N Leonard, Andrew C Simmonett, Frank C Pickard

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Frequent Collaborators

2 joint publications

Andrew C Simmonett

2 joint publications

Richard W Pastor

1 joint publications

Maria K Y Chan

1 joint publications

Benoît Roux