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J

Jonathan W. Essex

School of Chemistry

53H指数
246论文数
8.5K被引数
收录论文 100
发表时间
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Evaluating molecular docking for binding affinity predictions: a systematic analysis of key parameters and the utility of AlphaFold2 structures for the Schrödinger dataset评估分子对接在结合亲和力预测中的应用：对关键参数的系统分析以及AlphaFold2结构在Schrödinger数据集中的效用
errJournal of Computer-Aided Molecular Design
IF3.1
err2026-08-29
err0
errOAAI
errKonstantinos Tornesakis; Jonathan W. Essex; Paul A. Cox; Gerhard König
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err收藏
Genomic sequencing of multicystic mesothelioma finds cohesin complex mutations associated with disease recurrence in patients referred for cytoreductive surgery and HIPEC多房性间皮瘤的基因组测序发现，在转诊进行细胞减灭术和HIPEC的患者中，其疾病复发与连接蛋白复合体的突变相关。
errBritish Journal of Cancer
IF6.8
err2026-03-14
err0
errOAAI
errJane Gibson; Norman John Carr; Sophia Stanford; Amatta Mirandari; Thomas Desmond Cecil; Reuben J. Pengelly; Steven Turner; Jonathan W. Essex; Konstantinos Boukas; Kevin Hocking; Manuel Dominguez; Faheez Mohamed; Sanjeev Paul Dayal; Alexios Tzivanakis; Brendan John Moran; Gbadebo Adeleke; Alex Mirnezami; Sarah Ennis
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Atomistic modelling of lysophospholipids from the Campylobacter jejuni lipidome从*Campylobacter jejuni*脂质组出发的溶血磷脂的原子级建模
errBiophysical Journal
IF3.1
err2025-08-28
err0
errOAAI
errAstrid F. Brandner; Kahlan E. Newman; Jonathan W. Essex; Syma Khalid
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Structure-guided disulfide engineering restricts antibody conformation to elicit TNFR agonism结构指导的二硫键工程限制抗体构象以诱导TNFR激动作用
errNATURE COMMUNICATIONS
IF15.7
err2025-04-12
err0
errOAAI
errElliott, Isabel G.; Fisher, Hayden; Chan, H. T. Claude; Inzhelevskaya, Tatyana; Mockridge, C. Ian; Penfold, Christine A.; Duriez, Patrick J.; Orr, Christian M.; Herniman, Julie; Muller, Kri T. J.; Essex, Jonathan W.; Cragg, Mark S.; Tews, Ivo
err分享
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How well do empirical molecular mechanics force fields model the cholesterol condensing effect?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-28
err0
PREAI
errSawdon, J.; Piggot, T. J.; Essex, J. W.
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A partition function estimator
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-08
err0
errOAAI
errChiang, Ying-Chih; Otto, Frank; Essex, Jonathan W.
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Conformational Analysis of 1,3-Difluorinated Alkanes
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2024-05-31
err0
errOAAI
errPoole, William G.; Peron, Florent; Fox, Stephen J.; Wells, Neil; Skylaris, Chris-Kriton; Essex, Jonathan W.; Kuprov, Ilya; Linclau, Bruno
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Enhancing torsional sampling using fully adaptive simulated tempering
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-19
err1
errOAAI
errSuruzhon, Miroslav; Abdel-Maksoud, Khaled; Bodnarchuk, Michael S.; Ciancetta, Antonella; Wall, Ian D.; Essex, Jonathan W.
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Identification and Development of Cyclic Peptide Inhibitors of Hypoxia Inducible Factors 1 and 2 That Disrupt Hypoxia-Response Signaling in Cancer Cells
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-03-19
err7
errOAAI
errBall, Andrew T.; Mohammed, Soran; Doigneaux, Cyrielle; Gardner, Reece M.; Easton, James W.; Turner, Steven; Essex, Jonathan W.; Pairaudeau, Garry; Tavassoli, Ali
err分享
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Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-04-18
err5
errOAAI
errMorado, Joao; Mortenson, Paul N.; Nissink, J. Willem M.; Essex, Jonathan W.; Skylaris, Chris-Kriton
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Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-24
err13
errOAAI
errMelling, Oliver J.; Samways, Marley L.; Ge, Yunhui; Mobley, David L.; Essex, Jonathan W.
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Advancing our knowledge of antigen processing with computational modelling, structural biology, and immunology
errBIOCHEMICAL SOCIETY TRANSACTIONS
IF4.3
err2023-01-16
err2
errOAAI
errTurner, Steven; Essex, Jonathan W.; Elliott, Tim
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Water Networks in Complexes between Proteins and FDA-Approved Drugs
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-12-05
err5
errOAAI
errSamways, Marley L.; Macdonald, Hannah E. Bruce; Taylor, Richard D.; Essex, Jonathan W.
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Mycobacterium tuberculosis senses host Interferon-γ via the membrane protein MmpL10
errCOMMUNICATIONS BIOLOGY
IF5.1
err2022-12-01
err7
errOAAI
errAhmed, Mohamed; Mackenzie, Jared; Tezera, Liku; Krause, Robert; Truebody, Barry; Garay-Baquero, Diana; Vallejo, Andres; Govender, Katya; Adamson, John; Fisher, Hayden; Essex, Jonathan W.; Mansour, Salah; Elkington, Paul; Steyn, Adrie J. C.; Leslie, Alasdair
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Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2022-10-06
err7
errOAAI
errGe, Yunhui; Melling, Oliver J.; Dong, Weiming; Essex, Jonathan W.; Mobley, David L.
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Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility人IgG2 CD40抗体中的铰链二硫化物通过调节构象和柔韧性来调节受体信号传导
errSCIENCE IMMUNOLOGY
IF16.3
err2022-07-29
err23
errOAAI
errOrr, Christian M.; Fisher, Hayden; Yu, Xiaojie; Chan, Claude H-T; Gao, Yunyun; Duriez, Patrick J.; Booth, Steven G.; Elliott, Isabel; Inzhelevskaya, Tatyana; Mockridge, Ian; Penfold, Christine A.; Wagner, Armin; Glennie, Martin J.; White, Ann L.; Essex, Jonathan W.; Pearson, Arwen R.; Cragg, Mark S.; Tews, Ivo
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Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations (vol 13, 884110, 2022)
errFRONTIERS IN IMMUNOLOGY
IF5.9
err2022-07-04
err0
errOAAI
errWong, Mabel T. Y.; Kelm, Sebastian; Liu, Xiaofeng; Taylor, Richard D.; Baker, Terry; Essex, Jonathan W.
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Higher Affinity Antibodies Bind With Lower Hydration and Flexibility in Large Scale Simulations在大规模模拟中，较高亲和力的抗体以较低的水合作用和灵活性结合
errFRONTIERS IN IMMUNOLOGY
IF5.9
err2022-05-30
err2
errOAAI
errWong, Mabel T. Y.; Kelm, Sebastian; Liu, Xiaofeng; Taylor, Richard D.; Baker, Terry; Essex, Jonathan W.
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Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-19
err5
errOAAI
errSuruzhon, Miroslav; Bodnarchuk, Michael S.; Ciancetta, Antonella; Wall, Ian D.; Essex, Jonathan W.
err分享
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Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-02-11
err28
errOAAI
errGe, Yunhui; Wych, David C.; Samways, Marley L.; Wall, Michael E.; Essex, Jonathan W.; Mobley, David L.
err分享
err收藏

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