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C

Charles L. Brooks

university of michigan

104H-index
675Paper Count
5.9WCitation Count
Published Papers 259
Publication Date
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Accelerated Combinatorial Drug Design for Human Immunodeficiency Virus Resistance through Seeded Multisite λ-Dynamics
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-30
err0
PREAI
errPaige E. Bowling; Jonah Z. Vilseck; Charles L. Brooks III
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Identifying Artifacts from Large Library Docking (vol 67 , pg16796-16806 , 2024)
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2025-10-01
err0
PREAI
errWu, Yujin; Liu, Fangyu; Glenn, Isabella; Fonseca-Valencia, Karla; Paris, Lu; Xiong, Yeyue; Mailhot, Olivier; Jerome, Steven V.; Brooks III, Charles L.; Shoichet, Brian K.
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Autobiography of Charles L. Brooks III
errThe Journal of Physical Chemistry B
IF0
err2025-07-31
err0
PREAI
errCharles L. Brooks III
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errSave
Core Flipping in Lead Optimization: Rank Ordering Using λ-Dynamics
errJournal of Chemical Information and Modeling
IF5.3
err2025-06-16
err0
errOAAI
errParveen Gartan; Charles L. Brooks III; Nathalie Reuter
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Small-Molecule FICD Inhibitors Suppress Endogenous and Pathologic FICD-Mediated Protein AMPylation
errACS CHEMICAL BIOLOGY
IF3.8
err2025-03-01
err0
errOAAI
errChatterjee, Bhaskar K.; Alam, Mohammad Maroof; Chakravorty, Arghya; Lacy, Shannon M.; Giblin, William; Rech, Jason; Brooks, Charles L., III; Arvan, Peter; Truttmann, Matthias C.
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Engineering the Reaction Pathway of a Non-heme Iron Oxygenase Using Ancestral Sequence Reconstruction
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-12-06
err0
PREAI
errYang, Di; Chiang, Chang-Hwa; Wititsuwannakul, Taveechai; Brooks III, Charles L.; Zimmerman, Paul M.; Narayan, Alison R. H.
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Ancestral Sequence Reconstruction to Enable Biocatalytic Synthesis of Azaphilones
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-10-23
err0
PREAI
errChiang, Chang-Hwa; Wang, Ye; Hussain, Azam; Brooks, Charles L.; Narayan, Alison R. H.
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errSave
Identifying Artifacts from Large Library Docking
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2024-09-10
err2
PREAI
errWu, Yujin; Liu, Fangyu; Glenn, Isabella; Fonseca-Valencia, Karla; Paris, Lu; Xiong, Yuyue; Jerome, Steven V.; Brooks, Charles L., III; Shoichet, Brian K.
errShare
errSave
How to Sample Dozens of Substitutions per Site with λ Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-07-08
err3
errOAAI
errHayes, Ryan L.; Cervantes, Luis F.; Santos, Justin Cruz Abad; Samadi, Amirmasoud; Vilseck, Jonah Z.; Brooks III, Charles L.
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Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-08
err4
PREAI
errChakravorty, Arghya; Hussain, Azam; Cervantes, Luis F.; Lai, Thanh T.; Brooks III, Charles L.
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Investigating Polypharmacology through Targeting Known Human Neutrophil Elastase Inhibitors to Proteinase 3
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-26
err0
errOAAI
errGartan, Parveen; Khorsand, Fahimeh; Mizar, Pushpak; Vahokovski, Juha Ilmari; Cervantes, Luis F.; Haug, Bengt Erik; Brenk, Ruth; Brooks III, Charles L.; Reuter, Nathalie
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Biocatalytic Stereoselective Oxidation of 2-Arylindoles
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-01-18
err1
errOAAI
errChampagne, Sarah E.; Chiang, Chang-Hwa; Gemmel, Philipp M.; Brooks III, Charles L.; Narayan, Alison R. H.
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errSave
Enhanced Sampling of Buried Charges in Free Energy Calculations Using Replica Exchange with Charge Tempering
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-17
err1
errOAAI
errLiu, Xiaorong; Brooks III, Charles L.
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Selection pressures on evolution of ribonuclease H explored with rigorous free-energy-based design
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2024-01-09
err3
errOAAI
errHayes, Ryan L.; Nixon, Charlotte F.; Marqusee, Susan; Brooks III, Charles L.
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errSave
FASTDock: A Pipeline for Allosteric Drug Discovery
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-11-08
err5
PREAI
errAhmed, Furyal; Brooks III, Charles L.
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pyCHARMM: Embedding CHARMM Functionality in a Python Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-02
err15
PREAI
errBuckner, Joshua; Liu, Xiaorong; Chakravorty, Arghya; Wu, Yujin; Cervantes, Luis F. F.; Lai, Thanh T. T.; Brooks, Charles L. L.
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TMPRSS2 Inhibitor Discovery Facilitated through an In Silico and Biochemical Screening Platform
errACS MEDICINAL CHEMISTRY LETTERS
IF4
err2023-05-30
err6
errOAAI
errPeiffer, Amanda L.; Garlick, Julie M.; Wu, Yujin; Wotring, Jesse W.; Arora, Sahil; Harmata, Alexander S.; Bochar, Daniel A.; Stephenson, Corey J.; Soellner, Matthew B.; Sexton, Jonathan Z.; Brooks III, Charles L.; Mapp, Anna K.
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Deciphering the evolution of flavin- dependent monooxygenase stereoselectivity using ancestral sequence reconstruction
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2023-04-04
err19
errOAAI
errChiang, Chang-Hwa; Wymore, Troy; Benitez, Attabey Rodriguez; Hussain, Azam; Smith, Janet L.; Brooks, Charles L.; Narayan, Alison R. H.
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Covalent docking in CDOCKER
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-08-19
err11
errOAAI
errWu, Yujin; Brooks, Charles L., III
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errSave
A fine balance of hydrophobic-electrostatic communication pathways in a pH-switching protein
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2022-06-22
err6
errOAAI
errMacKenzie, Duncan W. S.; Schaefer, Anna; Steckner, Julia; Leo, Christopher A.; Naser, Dalia; Artikis, Efrosini; Broom, Aron; Ko, Travis; Shah, Purnank; Ney, Mikaela Q.; Tran, Elisa; Smith, Martin T. J.; Fuglestad, Brian; Wand, A. Joshua; Brooks, Charles L., III; Meiering, Elizabeth M.
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Research Directions

No research directions
Co-authors
Cooperation Journals
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John A. Pople
H-index: 142 · Papers: 735
J
J. Andrew McCammon
H-index: 134 · Papers: 1.1K
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
A
Andrej Săli
H-index: 129 · Papers: 684
B
Benoı̂t Roux
H-index: 128 · Papers: 722
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