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Career

· Director, UC Berkeley, Industrial Cyber-Physical Systems Center (iCyPhy)2024–
· UC Berkeley

Publications (34)

Catalytic Site pKa Values of Aspartic, Cysteine, and Serine Proteases: Constant pH MD Simulations
Journal of Chemical Information and Modeling · 2020
62
cited
Role of sulfate, chloride, and nitrate anions on the degradation of fluoroquinolone antibiotics by photoelectro-Fenton
Environmental science and pollution research international · 2017
42
cited
Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding.
Journal of Chemical Physics · 2020
37
cited
Mutation of Framework Residue H71 Results in Different Antibody Paratope States in Solution
Frontiers in Immunology · 2021
25
cited
Conformational Ensembles of Antibodies Determine Their Hydrophobicity
Biophysical Journal · 2020
24
cited
Characterization of a lipid droplet protein from Yarrowia lipolytica that is required for its oleaginous phenotype.
Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids · 2018
23
cited
Conformational selection of allergen-antibody complexes—surface plasticity of paratopes and epitopes
Protein engineering, design & selection : PEDS · 2019
22
cited
Industrial Control via Application Containers: Migrating from Bare-Metal to IAAS
2019 IEEE International Conference on Cloud Computing Technology and Science (CloudCom) · 2019
21
cited
X-Entropy: A Parallelized Kernel Density Estimator with Automated Bandwidth Selection to Calculate Entropy
Journal of Chemical Information and Modeling · 2021
19
cited
Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens
Scientific Reports · 2021
17
cited
Macrocycle Cell Permeability Measured by Solvation Free Energies in Polar and Apolar Environments
Journal of Chemical Information and Modeling · 2020
17
cited
Mechanisms Responsible for ω-Pore Currents in Cav Calcium Channel Voltage-Sensing Domains
Biophysical Journal · 2017
12
cited
Solvation Thermodynamics in Different Solvents: Water–Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory
Journal of Chemical Information and Modeling · 2020
11
cited
Dynamics Rationalize Proteolytic Susceptibility of the Major Birch Pollen Allergen Bet v 1
Frontiers in Molecular Biosciences · 2020
10
cited
In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization
Frontiers in Immunology · 2020
10
cited
Industrial control via application containers: Maintaining determinism in IAAS
Systems Engineering · 2020
9
cited
pH-Dependent Protonation of the Phl p 6 Pollen Allergen Studied by NMR and cpH-aMD
Journal of Chemical Theory and Computation · 2019
8
cited
Structure and Zeatin Binding of the Peach Allergen Pru p 1
Journal of Agricultural and Food Chemistry · 2021
7
cited
Grid inhomogeneous solvation theory for cross-solvation in rigid solvents.
Journal of Chemical Physics · 2022
6
cited
Implementation of the Freely Jointed Chain Model to Assess Kinetics and Thermodynamics of Thermosensitive Coil–Globule Transition by Markov States
Journal of Physical Chemistry B · 2021
6
cited
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Florian Hofer | Researcher Profile | Sotabase | Sotabase