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B

Bernard R. Brooks

national heart, lung and blood institute and national institutes of health

76H指数
419论文数
5.8W被引数
收录论文 190
发表时间
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Machine Learning-Driven Drug Repurposing for KRAS G12C and KRAS G12D Inhibition机器学习驱动的KRAS G12C和KRAS G12D抑制药物重定位
errACS Omega
IF4.3
err2026-05-22
err0
errOAAI
errGianluca Fuschi; Julia St. Germain; David Bebensee; Christophe Moawad; Arina Aladysheva; Ashraf Mohamed; Bernard R. Brooks; Rajkumar Savai; Eiman Elwakeel; Muhamed Amin
err分享
err收藏
Comparison of Protein-Glycosaminoglycan Interactions in ff14sb/GLYCAM06j-1 and CHARMM36m Force Fields比较ff14sb/GLYCAM06j-1和CHARMM36m力场中蛋白质-糖胺聚糖相互作用
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-01
err0
PREAI
errBojarski, Krzysztof K.; Wesolowski, Patryk A.; Dewan, Diksha; Dziadek, Lukasz J.; Neuman, Vilmos; Brooks, Bernard R.; Czub, Jacek; Zacharias, Martin; Sieradzan, Adam K.; Wales, David J.
err分享
err收藏
The scientific legacy of Martin Karplus from the perspective of his collaborators马丁·卡普拉斯的科学遗产：基于其合作者的视角
errBiophysical Journal
IF3.1
err2026-04-01
err0
PREAI
errIoan Andricioaei; Robert B. Best; Robert R. Birge; Stefan Boresch; Axel Brunger; Bernard R. Brooks; Matthias Buck; Rafael Brüschweiler; Amedeo Caflisch; David A. Case; Qiang Cui; Annick Dejaegere; Aaron R. Dinner; Ron Elber; Jeffrey D. Evanseck; Jiali Gao; Hong Guo; Roderick E. Hubbard; John Kuriyan; Diane Joseph-McCarthy
err分享
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Graph Neural Networks Model Based on Atomic Hybridization for Predicting Drug Targets基于原子杂化态的图神经网络模型用于预测药物靶点
errJournal of Chemical Information and Modeling
IF5.3
err2026-03-16
err0
PREAI
errAshraf Mohamed; Noha Galal; Bernard R. Brooks; Muhamed Amin
err分享
err收藏
Mechanism of Hydrolytic Instability of ZIF-8 in Aqueous and Buffered Media: Implications on Drug Delivery ApplicationsZIF-8在水和缓冲介质中水解不稳定的机制：对药物递送应用的启示
errACS Omega
IF4.3
err2026-03-16
err0
errOAAI
errEman Wahid; Worood A. El-Mehalmey; Asmaa Naser; Muhamed Amin; Bernard R. Brooks; Abdelrahman S. Mayhoub; Mohamed H. Alkordi
err分享
err收藏
Characterizing the Ion-Conductive State of the α7-Nicotinic Acetylcholine Receptor via Single-Channel Measurements and Molecular Dynamics Simulations
errThe Journal of Physical Chemistry B
IF2.9
err2026-02-06
err0
PREAI
errNauman Sultan; Gisela D. Cymes; Ada Chen; Bernard Brooks; Claudio Grosman; Ana Damjanovic
err分享
err收藏
Self-Guided Molecular Simulation Methods自引导分子模拟方法
errINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
IF4.9
err2025-10-26
err0
PREAI
errWu, Xiongwu; Brooks, Bernard R.
err分享
err收藏
Accurate Free Energy Calculation via Multiscale Simulations Driven by Hybrid Machine Learning and Molecular Mechanics Potentials通过混合机器学习和分子力学势驱动的多尺度模拟进行精确的自由能计算
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-04
err0
errOAAI
errXujian Wang; Xiongwu Wu; Bernard R. Brooks; Junmei Wang
err分享
err收藏
apoCHARMM: High-performance molecular dynamics simulations on GPUs for advanced simulation methodsapoCHARMM：基于GPU的高性能分子动力学模拟，用于高级模拟方法
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-09
err0
errOAAI
errPrasad, Samarjeet; Aviat, Felix; Gonzales II, James E.; Brooks, Bernard R.
err分享
err收藏
An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography
errBIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
IF2.7
err2025-04-01
err1
PREAI
errYehia, Salma; Wang, Jimin; Brudvig, Gary W.; Gunner, M. R.; Brooks, Bernard R.; Amin, Muhamed
err分享
err收藏
Predicting Iron-Sulfur Cluster Redox Potentials: A Simple Model Derived from Protein Structures
errACS OMEGA
IF4.3
err2025-04-01
err0
errOAAI
errMin, Jiyeon; Ali, Fidaa; Brooks, Bernard R.; Bruce, Barry D.; Amin, Muhamed
err分享
err收藏
Leveraging-Induced Polarization for Drug Discovery: Efficient IC50 Prediction Using Minimal Features利用杠杆效应诱导的极化进行药物发现：使用最少特征进行高效的IC50预测
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-03-20
err0
PREAI
errMohamed, Ashraf; Brooks, Bernard R.; Amin, Muhamed
err分享
err收藏
Self-Guided Molecular Simulation to Enhance Concerted Motion自引导分子模拟以增强协同运动
errINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
IF4.9
err2025-02-25
err0
errOAAI
errWu, Xiongwu; Brooks, Bernard R.
err分享
err收藏
The oxidation of the [4Fe-4S] cluster of DNA primase alters the binding energies with DNA and RNA primers
errBIOPHYSICAL JOURNAL
IF3.1
err2024-06-01
err1
PREAI
errAmin, Muhamed; Brooks, Bernard R.
err分享
err收藏
Mapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-02-02
err1
errOAAI
errAmin, Muhamed; Kaur, Divya; Brudvig, Gary W.; Brooks, Bernard R.
err分享
err收藏
MPI-parallelization of the grid inhomogeneous solvation theory calculation网格非均匀溶剂化理论计算的MPI并行化
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-10
err2
PREAI
errRoe, Daniel R.; Brooks, Bernard R.
err分享
err收藏
Ion channel selectivity through ion- modulated changes of selectivity filter pKa values通过选择性滤波器pKa值的离子调制变化实现离子通道选择性
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2023-06-20
err4
errOAAI
errChen, Ada Y.; Brooks, Bernard R.; Damjanovic, Ana
err分享
err收藏
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase (vol 14, 2239, 2023)
errNATURE COMMUNICATIONS
IF15.7
err2023-05-05
err0
errOAAI
errMaschietto, Federica; Morzan, Uriel N.; Tofoleanu, Florentina; Gheeraert, Aria; Chaudhuri, Apala; Kyro, Gregory W.; Nekrasov, Peter; Brooks, Bernard; Loria, J. Patrick; Rivalta, Ivan; Batista, Victor S.
err分享
err收藏
Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase
errNATURE COMMUNICATIONS
IF15.7
err2023-04-19
err11
errOAAI
errMaschietto, Federica; Morzan, Uriel N.; Tofoleanu, Florentina; Gheeraert, Aria; Chaudhuri, Apala; Kyro, Gregory W.; Nekrasov, Peter; Brooks, Bernard; Loria, J. Patrick; Rivalta, Ivan; Batista, Victor S.
err分享
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Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-05-22
err13
errOAAI
errHudson, Phillip S.; Aviat, Felix; Meana-Paneda, Ruben; Warrensford, Luke; Pollard, Benjamin C.; Prasad, Samarjeet; Jones, Michael R.; Woodcock, H. Lee; Brooks, Bernard R.
err分享
err收藏

研究方向

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合作学者
合作期刊
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Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
W
William A. Goddard
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A
Ad Bax
H 指数: 145 · 论文数: 627
A
Alexis T. Bell
H 指数: 133 · 论文数: 1.0K
M
Martin Head‐Gordon
H 指数: 130 · 论文数: 1.0K
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