The Amber biomolecular simulation programs
2005 · Journal of Computational Chemistry · 9,415 citations
https://doi.org/10.1002/jcc.20290
H
Holger Gohlke
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Holger Gohlke is an academic researcher from Forschungszentrum Jülich. The author has contributed to research in topics: Protein Structure and Dynamics & Computational Drug Discovery Methods & Enzyme Structure and Function. The author has an h-index of 60, co-authored 400 publications.
ORCID: 0000-0001-8613-1447Papers by this author
works<i>MMPBSA.py</i>: An Efficient Program for End-State Free Energy Calculations
2012 · Journal of Chemical Theory and Computation · 4,263 citations
https://doi.org/10.1021/ct300418h
AmberTools
2023 · Journal of Chemical Information and Modeling · 1,639 citations
https://doi.org/10.1021/acs.jcim.3c01153
Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method
2012 · Molecular Informatics · 1,104 citations
https://doi.org/10.1002/minf.201100135
Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5
2021 · Nature Communications · 100 citations
https://doi.org/10.1038/s41467-021-25574-8
Structure of Aquifex aeolicus Argonaute Highlights Conformational Flexibility of the PAZ Domain as a Potential Regulator of RNA-induced Silencing Complex Function
2006 · Journal of Biological Chemistry · 53 citations
https://doi.org/10.1074/jbc.m608619200
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