Faculty

Institution

Unit

Venue

Diwakar Shukla

Associate Professor

UIUC

Affiliations

College of Liberal Arts & Sciences

Department of Chemical and Biomolecular Engineering

School of Chemical Sciences

Department of Chemical and Biomolecular Engineering

Diwakar Shukla is currently serving as a College Of Liberal Arts & Sciences Associate Professor at Uiuc.

Honors

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Experiences

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Education

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Diwakar Shukla

UIUC

Associate Professor

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protein science biochemistry molecular biology biophysics structural molecular biology protein structure molecular modelling receptors biomolecular structure protein modeling molecular biophysics computational biology biophysical chemistry computational biophysics signal transduction biomolecular interactions biological chemistry receptor (biochemistry) protein folding molecular informatics g protein-coupled receptor biological macromolecules protein chemistry chemistry peptides pharmacological research protein structure prediction protein transport plant molecular biology protein assembly protein bioinformatics molecular dynamics molecular science membrane transport plant hormones theoretical biology biochemical sciences molecular cell biology material chemistry machine learning research molecular docking conformational studies protein function biophysical modeling cannabis use cellular biochemistry dispersion science plant biochemistry biochemical interaction md simulations protein phosphorylation proteinlipid interaction structural bioinformatics biomolecular structure prediction conformational dynamics molecular dynamics simulations micelles membrane systems markov state models adaptive sampling signaling pathways protein refolding protein purification viral structural protein carbohydrate-protein interactions polymer self-assembly protein aggregation monte carlo model gpcr activation pathways cloud-based simulations preferential interaction coefficients molecular computations protein stability sweet family evolutionary couplings conformational change molecular engineering molecular design

Video Presentations

Notable Scholarly Works

Notable Federal Grants

Collaborators

Active Learning-Guided Optimization of Cell-Free Biosensors for Lead Testing in Drinking Water. bioRxiv (Cold Spring Harbor Laboratory) (2025)

Brenda M WangNicole ChiangHolly M EkasDylan M BrownGarrett DildineTyler J LucciSiyuan FengVanessa BlyJean-Francois GaillardJulius B LucksAshty S KarimDiwakar ShuklaMichael C Jewett

biosensorsbiomedical data sciencebiomedical informaticslead identificationfunctional genomicshigh-throughput screeningsystems biologypaired datasetmolecular diagnosticsmolecular biologybiomedical analysisdata sciencemolecular informaticscomputational biologymachine learningdrinking waterbioinformatics

Alphafold‐Guided Bespoke Gene Editing Enhances Field‐Grown Soybean Oil Contents. Advanced Science (2025)

Jie WangLi ZhangShoudong WangXin WangSuning LiPingping GongMengyan BaiArnav PaulNathan TvedtHengrui RenMaoxiang YangZhihui ZhangShaodong ZhouJiayi SunXianjin WuHuaqin KuangZhenghua DuYonghui DongXiaolei ShiMeina LiDiwakar ShuklaLong YanYuefeng Guan

genomicsprotein contentagricultural biotechnologygene editingprotein functiongenome editingplant biotechnologygeneticsbiotechnologybiomolecular engineeringbiotechnology advancegenetic technologiesfood sciencegenetic engineeringprotein engineeringgenetically modified organismsbiochemistry

Bps2025 - Lasso Cyclase Functions as a Chaperone That Mediates Peptide Folding and Binding. Biophysical Journal (2025)

Song YinSusanna E. BarrettDouglas A. MitchellDiwakar Shukla

lasso cyclase functionsbiological macromoleculesprotein assemblypeptidesprotein functionpeptide engineeringpeptide scienceprotein structuremolecular biologybiological chemistrystructural molecular biologybiochemistryprotein scienceprotein engineeringprotein folding

Characterization of Binding Kinetics and Intracellular Signaling of New Psychoactive Substances Targeting Cannabinoid Receptor Using Transition-Based Reweighting Method. (2025)

Soumajit DuttaDiwakar Shukla

cannabinoid receptorreceptorsneuropsychopharmacologypharmacologydrug targetstransition-based reweighting methodsystem pharmacologysystems biologyneuropharmacologymolecular pharmacologydrug discoverymedicinal researchcannabis useclassical cannabinoidspharmacological researchbiochemistry

Ensemble Adaptive Sampling Scheme: Identifying an Optimal Sampling Strategy via Policy Ranking. Journal of Chemical Theory and Computation (2025)

Hassan NadeemDiwakar Shukla

biological systemsquantitative biologybiomedical informaticssamplingsampling (statistics)phase spacesystems biologyadaptive samplingstatistical inferencesampling theorydata sciencecomputational biologycomputational statisticsmolecular informaticsmonte carlo sampling

ESMDYNAMIC: A Fast and Accurate Prediction of Protein Dynamic Contact Maps From Single Sequences. bioRxiv (Cold Spring Harbor Laboratory) (2025)

Diego E KleimanJiangyan FengZhengyuan XueDiwakar Shukla

biophysicsprotein functiondeep learning modelprotein structure predictionprotein modelingprotein structuremolecular modellingprotein bioinformaticsbiomolecular structuremolecular biologystructural molecular biologystructural bioinformaticscontact fluctuationsstructural biologycomputational biologyprotein sciencebiomolecular structure prediction

Investigating the Structure–Function Relationships of Fluorinated Interfaces for Pfas Capture and Electrochemically‐Mediated Release. Advanced Functional Materials (2025)

Anaira Román SantiagoAdrija DuttaJhen‐Cih WuSong YinYe Won LeeChia‐Hung HouDiwakar ShuklaXiao Su

polymer nanotechnologypfas capturematerial chemistrysmart polymersadsorption experimentschemical engineeringpolymer chemistryselective removalelectroanalytical chemistrychemistryconducting polymerspolymer sciencepolymeric surface

Mechanistic Basis for Enhanced Strigolactone Sensitivity in Kai2 Triple Mutant. Biophysical Journal (2025)

Briana L. SobecksJiming ChenTanner J. DeanDiwakar Shukla

biochemical interactionenzyme inhibitionmechanisms of actionkai2 triple mutantmolecular pharmacologychemical biologybiomolecular engineeringmolecular metabolismmolecular biologybiological chemistrybiochemical sciencesmutagenesis (molecular biology technique)experimental biologybiochemistry

Microbiota-Derived Corisin Accelerates Kidney Fibrosis by Promoting Cellular Aging. Nature Communications (2025)

Taro YasumaHajime FujimotoCorina N. D’Alessandro-GabazzaMasaaki TodaMei UemuraKota NishihamaAtsuro TakeshitaValeria Fridman D’AlessandroTomohito OkanoYuko OkanoAtsushi TomaruTomoko AnohChisa InoueManal A. B. AlhawsawiAhmed M. Abdel-HamidKyle LeistikowMichael R. KingRyoichi OnoTetsuya NosakaHidetoshi YamazakiChristopher J. FieldsRoderick I. MackieXuenan MiDiwakar ShuklaJustine ArringtonYutaka YanoOsamu HatajiTetsu KobayashiIsaac CannEsteban C. Gabazza

immunologymicrobiota-derived corisindiabetes therapiesdiabetesfibrosisrenal functionsystems biologynephrologymonoclonal antibodychronic kidney diseasecorisin levelsrenal pathophysiologydiabetic medicinediabetes researchdiabetic kidney diseaseinflammation

Multiple Modes of Cholesterol Translocation in the Human Smoothened Receptor. (2025)

Prateek D BansalMaia KinnebrewRajat RohatgiDiwakar Shukla

lipid movementcellular physiologyproteinlipid interactionmultiple modeslipidsintracellular traffickingmolecular and cellular biologysmo mutantsmolecular cell biologymembrane proteinsbiological chemistrysignal transductionmolecular physiologycholesterol translocationmembrane biologybiochemistrycell biology

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Diwakar Shukla

Associate Professor

UIUC

Affiliations

College of Liberal Arts & Sciences

Department of Chemical and Biomolecular Engineering

School of Chemical Sciences

Department of Chemical and Biomolecular Engineering

Diwakar Shukla is currently serving as a College Of Liberal Arts & Sciences Associate Professor at Uiuc.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Diwakar Shukla

UIUC

Associate Professor

You can click a keyword to filter the displayed items

Video Presentations

Notable Scholarly Works

Notable Federal Grants

Collaborators

Active Learning-Guided Optimization of Cell-Free Biosensors for Lead Testing in Drinking Water. bioRxiv (Cold Spring Harbor Laboratory) (2025)

Brenda M WangNicole ChiangHolly M EkasDylan M BrownGarrett DildineTyler J LucciSiyuan FengVanessa BlyJean-Francois GaillardJulius B LucksAshty S KarimDiwakar ShuklaMichael C Jewett

Alphafold‐Guided Bespoke Gene Editing Enhances Field‐Grown Soybean Oil Contents. Advanced Science (2025)

Bps2025 - Lasso Cyclase Functions as a Chaperone That Mediates Peptide Folding and Binding. Biophysical Journal (2025)

Song YinSusanna E. BarrettDouglas A. MitchellDiwakar Shukla

Characterization of Binding Kinetics and Intracellular Signaling of New Psychoactive Substances Targeting Cannabinoid Receptor Using Transition-Based Reweighting Method. (2025)

Soumajit DuttaDiwakar Shukla

Ensemble Adaptive Sampling Scheme: Identifying an Optimal Sampling Strategy via Policy Ranking. Journal of Chemical Theory and Computation (2025)

Hassan NadeemDiwakar Shukla

ESMDYNAMIC: A Fast and Accurate Prediction of Protein Dynamic Contact Maps From Single Sequences. bioRxiv (Cold Spring Harbor Laboratory) (2025)

Diego E KleimanJiangyan FengZhengyuan XueDiwakar Shukla

Investigating the Structure–Function Relationships of Fluorinated Interfaces for Pfas Capture and Electrochemically‐Mediated Release. Advanced Functional Materials (2025)

Anaira Román SantiagoAdrija DuttaJhen‐Cih WuSong YinYe Won LeeChia‐Hung HouDiwakar ShuklaXiao Su

Mechanistic Basis for Enhanced Strigolactone Sensitivity in Kai2 Triple Mutant. Biophysical Journal (2025)

Briana L. SobecksJiming ChenTanner J. DeanDiwakar Shukla

Microbiota-Derived Corisin Accelerates Kidney Fibrosis by Promoting Cellular Aging. Nature Communications (2025)

Multiple Modes of Cholesterol Translocation in the Human Smoothened Receptor. (2025)

Prateek D BansalMaia KinnebrewRajat RohatgiDiwakar Shukla

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