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Ajay N. Jain

optibrium limited

49H-index
165Paper Count
1.3WCitation Count
Published Papers 68
Publication Date
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CSCAN: Conformational Analysis of Macrocyclic Peptides through NMR Chemical Shifts
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-18
err0
PREAI
errAlexei V. Buevich; Yu-hong Lam; Qi Gao; Ajay N. Jain; Ann E. Cleves; Edward C. Sherer
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Peptide-Based Probe Targeting Angiotensin Type-1 Receptor Identifies Pancreatic Ductal Adenocarcinoma Using Multispectral Optoacoustic Tomography
errCHEMICAL & BIOMEDICAL IMAGING
IF5.7
err2025-11-01
err0
PREAI
errSingh, Rohit; Agarwal, Happy; Bynum, Ryan C.; Grizzle, William E.; Jain, Ajay; Edil, Barish H.; Ulahannan, Susanna; Li, Min; McNally, Lacey R.
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Assessment of Breast Tumors Using Multispectral Optoacoustic Tomography in a Surgical Setting
errJOURNAL OF NUCLEAR MEDICINE
IF9.1
err2025-10-01
err2
PREAI
errMcNally, Lacey R.; Claros-Sorto, Juan Carlos; Bynum, Ryan C.; Grizzle, William E.; Han, Zheng; Squires, Ronald; Tippetts, Jacob D.; Brannen, Andrew; Garwe, Tabitha; Cohoon, Andrew; Edil, Barish H.; Holter-Chakrabarty, Jennifer; Jain, Ajay
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The Level of a Short Form of Multidrug Resistance-Associated Protein 1 Is Elevated in Plasma Small Extracellular Vesicles Derived From Patients With Pancreatic Ductal Adenocarcinoma
errfaseb journal
IF0
err2025-07-18
err0
PREAI
errKritisha Bhandari; Madison Lu; Gillian Marshall; Jeng Shi Kong; Chao Xu; Ajay Jain; Ying Huang; Michael A. Hollingsworth; Wei-Qun Ding
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errSave
Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-10-16
err0
errOAAI
errCleves, Ann E.; Tandon, Himani; Jain, Ajay N.
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errSave
Theranostic nanoparticles for detection and treatment of pancreatic cancer
errWILEY INTERDISCIPLINARY REVIEWS-NANOMEDICINE AND NANOBIOTECHNOLOGY
IF8.2
err2024-08-14
err1
PREAI
errAgarwal, Happy; Bynum, Ryan C.; Saleh, Nada; Harris, Danielle; MacCuaig, William M.; Kim, Vung; Sanderson, Emma J.; Dennahy, Isabel S.; Singh, Rohit; Behkam, Bahareh; Gomez-Gutierrez, Jorge G.; Jain, Ajay; Edil, Barish H.; McNally, Lacey R.
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From UK-2A to florylpicoxamid: Active learning to identify a mimic of a macrocyclic natural product
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-04-17
err0
errOAAI
errCleves, Ann E.; Jain, Ajay N.; Demeter, David A.; Buchan, Zachary A.; Wilmot, Jeremy; Hancock, Erin N.
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Improving the dynamic range of pH low insertion peptides for targeted imaging of pancreatic tumors
errCANCER RESEARCH
IF16.6
err2024-03-22
err0
PREAI
errBynum, Ryan; Sanderson, Emma; Edil, Barish H.; Jain, Ajay; McNally, Lacey R.
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errSave
Detection of a truncated form of multidrug resistance protein 1 (MRP1) in plasma sEVs derived from cancer patients
errCANCER RESEARCH
IF16.6
err2024-03-22
err0
PREAI
errBhandari, Kritisha; Kong, Jeng Shi; Xu, Chao; Jain, Ajay; Ding, Wei-Qun
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errSave
V7 targeted liposomes detect pancreatic adenocarcinoma via multispectral optoacoustic tomography
errCANCER RESEARCH
IF16.6
err2024-03-22
err0
PREAI
errAgarwal, Happy; Chuong, Phillip; Grizzle, William E.; Edil, Barish H.; Jain, Ajay; McNally, Lacey R.
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errSave
Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design (vol 37, pg 519, 2023)
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2024-03-13
err0
errOAAI
errJain, Ajay N.; Brueckner, Alexander C.; Jorge, Christine; Cleves, Ann E.; Khandelwal, Purnima; Cortes, Janet Caceres; Mueller, Luciano
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errSave
Complex peptide macrocycle optimization: combining NMR restraints with conformational analysis to guide structure-based and ligand-based design
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2023-08-03
err7
errOAAI
errJain, Ajay N.; Brueckner, Alexander C.; Jorge, Christine; Cleves, Ann E.; Khandelwal, Purnima; Cortes, Janet Caceres; Mueller, Luciano
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errSave
Unmasking the True Identity of Rapamycin's Minor Conformer
errJOURNAL OF NATURAL PRODUCTS
IF3.6
err2023-07-11
err2
errOAAI
errCrull, Emily B.; Jain, Ajay N.; Hawkins, Paul C. D.; Cleves, Ann E.; Graziani, Edmund I.; Williamson, R. Thomas
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errSave
Tunable squaraine dyes as contrast agents for image guided surgery with optoacoustic imaging
errCANCER RESEARCH
IF16.6
err2023-04-04
err0
PREAI
errMacCuaig, William M.; Wickizer, Carly; Henary, Maged; Shao, Yihan; Edil, Barish H.; Jain, Ajay; Grizzle, William E.; McNally, Lacey R.
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errSave
A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2023-01-26
err6
errOAAI
errJain, Ajay N.; Brueckner, Alexander C.; Cleves, Ann E.; Reibarkh, Mikhail; Sherer, Edward C.
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errSave
Solution cis-Proline Conformation of IPCs Inhibitor Aureobasidin A Elucidated via NMR-Based Conformational Analysis
errJOURNAL OF NATURAL PRODUCTS
IF3.6
err2022-05-27
err9
PREAI
errGao, Qi; Cleves, Ann E.; Wang, Xiao; Liu, Yizhou; Bowen, Sean; Williamson, Robert Thomas; Jain, Ajay N.; Sherer, Edward; Reibarkh, Mikhail
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errSave
Nanotheranostics for Image-Guided Cancer Treatment
errPHARMACEUTICS
IF5.5
err2022-04-22
err21
errOAAI
errDennahy, Isabel S.; Han, Zheng; MacCuaig, William M.; Chalfant, Hunter M.; Condacse, Anna; Hagood, Jordan M.; Claros-Sorto, Juan C.; Razaq, Wajeeha; Holter-Chakrabarty, Jennifer; Squires, Ronald; Edil, Barish H.; Jain, Ajay; McNally, Lacey R.
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errSave
Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-12-10
err8
errOAAI
errCleves, Ann E.; Johnson, Stephen R.; Jain, Ajay N.
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errSave
Mesoporous Silica Nanoparticles: Properties and Strategies for Enhancing Clinical Effect
errPHARMACEUTICS
IF5.5
err2021-04-17
err68
errOAAI
errFrickenstein, Alex N.; Hagood, Jordan M.; Britten, Collin N.; Abbott, Brandon S.; McNally, Molly W.; Vopat, Catherine A.; Patterson, Eian G.; MacCuaig, William M.; Jain, Ajay; Walters, Keisha B.; McNally, Lacey R.
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Conformational Strain of Macrocyclic Peptides in Ligand-Receptor Complexes Based on Advanced Refinement of Bound-State Conformers
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2021-03-16
err11
errOAAI
errBrueckner, Alexander C.; Deng, Qiaolin; Cleves, Ann E.; Lesburg, Charles A.; Alvarez, Juan C.; Reibarkh, Mikhail Y.; Sherer, Edward C.; Jain, Ajay N.
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Research Directions

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Co-authors
Cooperation Journals
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Steven J.M. Jones
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Mark A. Rubin
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D. Gareth Evans
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John N. Weinstein
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P
Peter R. Carroll
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