Learning Curve Initiative @LCI_compsci

We are a community to help flatten the learning curve for the next generation of computational molecular scientists. learning-curve-initiative.github.io/about/ Joined July 2023

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ますもとおとは @masumotoot43277

48 Followers 3K Following

MGMS @MgmsUpdates

2K Followers 2K Following Molecular Graphics and Modelling Society

Yisel Martínez Noa @NoaYisel

117 Followers 214 Following

Debra @hughes_debra80

246 Followers 3K Following

Johnsen Xavier @JohnsenXavier

2 Followers 192 Following

vdr @Cathelicidin

545 Followers 2K Following

Polymer/Materials Chemistry | Assistant Professor @TexasTech | Postdoc with @jrivnay @NorthwesternU | Ph.D. with @AzoulayGroup @USM_Polymers

Joshua Tropp @TroppJoshua

469 Followers 328 Following Polymer/Materials Chemistry | Assistant Professor @TexasTech | Postdoc with @jrivnay @NorthwesternU | Ph.D. with @AzoulayGroup @USM_Polymers

Darren Liu @darrenjliu

142 Followers 1K Following PhD student in @UChicagoBPHYS with Aaron Dinner and @murugan_chicago | @BUChemistry

Trying to teach computers about materials @jablonkagroup @UniJena & @HZBde.

You can use https://t.co/HXvlhpq56i to provide feedback.

Kevin M Jablonka @kmjablonka

2K Followers 3K Following Trying to teach computers about materials @jablonkagroup @UniJena & @HZBde. You can use https://t.co/HXvlhpq56i to provide feedback.

João Matheus @JoaoMatheus_CS

139 Followers 527 Following Chemistry student. UFRJ

victor @VJLOPEZG

26 Followers 62 Following

Janavi Rajput @janavirajput250

91 Followers 227 Following Ph.D. Scholar, Computational Chemistry, IIT Mandi, Himachal Pradesh, India

Thomas Coudrat @TomSilico

1K Followers 2K Following Computational chemist @CSIRO, @MelbProtein committee

OktavianRama @oktavian_rama

479 Followers 331 Following Ph.D student in Dept. Chem. Eng. Univ of Sheffield, UK. Senior lecturer in Chem. Eng. Dept., Brawijaya University, Indonesia.

Nishi @nishimaru30

127 Followers 429 Following Marie Curie PhD Fellow @univgroningen | Computational chemist | Previously @AganithaAI @uutah

Idil Ismail @IdilIsmail20

162 Followers 353 Following Postdoc in Computational Chemistry at @ETH Former PhD at @uniofwarwick

Muhammad Bilal Wazir @Mi3VV

17 Followers 227 Following

Investigador CONICET, Profesor UNL

Professor, Inorg Chemist, EPR spectroscopist
#corroles #catalysis

@nicolas_neuman@mstdn.science
https://t.co/qxC3TL4qH7

Nicolas Neuman @neuman_nicolas

468 Followers 321 Following Investigador CONICET, Profesor UNL Professor, Inorg Chemist, EPR spectroscopist #corroles #catalysis @[email protected] https://t.co/qxC3TL4qH7

HPC software dev #MPCDF @maxplanckpress | #GROMACS contributor | #cpp on #ArchLinux and #FreeBSD | @HITStudies alumnus | https://t.co/XVpfcwVOId

Vedran Miletić 🇭�... @VedranMiletic

654 Followers 2K Following HPC software dev #MPCDF @maxplanckpress | #GROMACS contributor | #cpp on #ArchLinux and #FreeBSD | @HITStudies alumnus | https://t.co/XVpfcwVOId

SiyingZhong @ZhongSiying

78 Followers 110 Following Chemist👩🏻‍🔬 Foodie🥢Cat mum😽

Rostacia Lewis, PhD @DrRostaciaLewis

97 Followers 368 Following Computational Scientist @Yale PhD | @ImperialCollege alum

Clari Miserendino �... @clarimise

1K Followers 4K Following PhD student 🇦🇹 @ISTAustria Biotechnologist 🇦🇷 @unc_cordoba

AI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.

Kate Stafford @kastacholamine

2K Followers 3K Following AI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.

Jonkey Dong @ReynoldsOsborn

62 Followers 295 Following • Excellent communicator and self motivator • Proficient with Microsoft Office • 60 WPM • he/him • Maya's bf

I'm just an Alien, standing in front of a country, asking it to let me improve their biotechnology {Algorithms, Protein Sequencing, Drug Discovery, HCI, jokes}

Juan Felipe Beltrán,... @offbyjuan

591 Followers 3K Following I'm just an Alien, standing in front of a country, asking it to let me improve their biotechnology {Algorithms, Protein Sequencing, Drug Discovery, HCI, jokes}

Juan Camilo Rodriguez @JuanCamilo_3651

192 Followers 1K Following Chemistry Undergraduate Student - Universidad del Valle 🇨🇴 Theoretical Chem and Quantum Dynamics. i-Scholar-UofR

Yongchul Chung @DrYGChung

2K Followers 4K Following Professor in Chemical Engineering @ Pusan National University, South Korea

Prof. of Chemical Engineering; Department Chair. Monte Carlo simulation/algorithms/software, GPU, HPC, PFAS, rare earth elements

Jeffrey Potoff @jpotoff

240 Followers 211 Following Prof. of Chemical Engineering; Department Chair. Monte Carlo simulation/algorithms/software, GPU, HPC, PFAS, rare earth elements

Pratiksha Gaikwad @QPratz_chem

352 Followers 1K Following Ph.D. student at @UF in @GroupQuintana | MolSSI fellow | Quantum Chemistry - Theory & Computation

Pouya @ExOrtW3xQuaS

4 Followers 149 Following

Miranda Quintana Grou... @GroupQuintana

4K Followers 2K Following RamO(N) Miranda-Quintana group @UF Theoretical and Computational chemistry.

Andrew S. Rosen @Andrew_S_Rosen

8K Followers 3K Following Assistant Professor at @Princeton. Quantum-chemical engineer.

Professor at UCT Prague interested in biomolecular simulations, enhanced sampling techniques, structural bioinformatics and drug design.

Vojtech Spiwok 🇺�... @spiwokv

3K Followers 5K Following Professor at UCT Prague interested in biomolecular simulations, enhanced sampling techniques, structural bioinformatics and drug design.

Lecturer @chemistry_qmul | Guest Scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧

Wojciech (Wojtek) Kop... @wojciechkopec3

5K Followers 4K Following Lecturer @chemistry_qmul | Guest Scientist @compbiophys | Computational Electrophysiology simulations | Living with insomnia | 🇵🇱🇩🇰🇺🇸🇩🇪🇬🇧

Yuanqing Wang @YuanqingWang

870 Followers 1K Following writing experimental short stories and deep learning drug discovery algorithms.

An Incognito Molecular & Computational Biologist #Proteins #StructuralBio #compChem #compBio #DrugDev #BioInspiredAlgorithms #HPC #AIML

vignyaaani // வி�... @PoeticOwls

68 Followers 631 Following An Incognito Molecular & Computational Biologist #Proteins #StructuralBio #compChem #compBio #DrugDev #BioInspiredAlgorithms #HPC #AIML

SJ Fan @SJFan48552412

56 Followers 188 Following Postdoc at IOCB Prague with Prof. Pavel Jungwirth. Github: https://t.co/YaqFO6oS9N

Conrado Pedebos @ConradoPedebos

315 Followers 577 Following PDRA at UFCSPA in the Chemical Diversity Group

Child of God ✝️ | Proud Sri Lankan 🇱🇰 | PhD in Chemistry, University of Kentucky | Computational Chemist | Kentucky Wildcat 😼💙🤍 #compchem #BBN

Anton Sameera Perera @AntonSPerera

260 Followers 833 Following Child of God ✝️ | Proud Sri Lankan 🇱🇰 | PhD in Chemistry, University of Kentucky | Computational Chemist | Kentucky Wildcat 😼💙🤍 #compchem #BBN

PhD & postdoc w @IGreger1 @MRC_LMB & @IvetBahar (ProDy) @CompBioPitt. @CSIC-@MSCActions fellow w @JM_Carazo & @COSSStock @CNB_CSIC. #Proteindynamics & #CryoEM

James Michael Krieger @james_krieger

1K Followers 4K Following PhD & postdoc w @IGreger1 @MRC_LMB & @IvetBahar (ProDy) @CompBioPitt. @CSIC-@MSCActions fellow w @JM_Carazo & @COSSStock @CNB_CSIC. #Proteindynamics & #CryoEM

Maria Falzone @MariaFalzone9

281 Followers 407 Following 🧪🧬 postdoc in the MacKinnon lab, interested lipid regulation of membrane proteins 🔬

Edward Lambden @EdwardLambden

128 Followers 441 Following Teaching Fellow | @kclchemistry | computational chemist

João Victor @_Badaro_

3 Followers 115 Following

Mark @MarkBray19

220 Followers 914 Following Out on a grand adventure.

Abdullah Al Nahid @abdnahid_

387 Followers 1K Following phd student @usc @uscmann

machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things

Rubén Laplaza @ruben_laplaza

1K Followers 2K Following machine learning, catalysis and quantum chemistry - (incoming) research professor at @IIQ_US_CSIC @cicCartuja @CSIC - curious about most things

Processing language to discover drugs | Ph.D. candidate @molecularML | Prev. Great Minds Research Intern @IBMResearch | BS&MS @Bogazici_CmpE

Rıza Özçelik @Rza_ozcelik

941 Followers 987 Following Processing language to discover drugs | Ph.D. candidate @molecularML | Prev. Great Minds Research Intern @IBMResearch | BS&MS @Bogazici_CmpE

Andrea Pasquadibisceg... @AndPdb

301 Followers 943 Following Staff Scientist @Tigem_Telethon

Jianxin @racyhe1

237 Followers 1K Following PhD Student at UW-Madison | MSc from Sino-Danish Center and NCNST｜ Computational Physics & Organic Chemistry

Fancies as a sommelier! Ardently edits dotfiles! Vim purist. A religious atheist. Simulates biomolecules for a living.
Tweets in personal capacity.

Pallav Sengupta @PallavSengupta3

233 Followers 3K Following Fancies as a sommelier! Ardently edits dotfiles! Vim purist. A religious atheist. Simulates biomolecules for a living. Tweets in personal capacity.

Three.js @threejs

81K Followers 60 Following Making 3D easier since 2010.

Fabio Cortes @fabiojcortes

1K Followers 2K Following I make computers draw things. More at: https://t.co/XqvXsSq6EM

Luciano Abriata @labriataphd

1K Followers 587 Following

Scientist | AAAS Community Leader | Collaborative Leadership Consultant for STEM Leaders and Organizations at the BridgUs Lab

Jadson Jall, PhD @JadsonJall

5K Followers 162 Following Scientist | AAAS Community Leader | Collaborative Leadership Consultant for STEM Leaders and Organizations at the BridgUs Lab

Andrea Pasquadibisceg... @AndPdb

301 Followers 943 Following Staff Scientist @Tigem_Telethon

Pallav Sengupta @PallavSengupta3

233 Followers 3K Following Fancies as a sommelier! Ardently edits dotfiles! Vim purist. A religious atheist. Simulates biomolecules for a living. Tweets in personal capacity.

Modelling and simulation using quantum chemistry, stat mech and neural network potentials #compchem #theochem Researcher at Orbital Materials

Tim Duignan @TimothyDuignan

6K Followers 2K Following Modelling and simulation using quantum chemistry, stat mech and neural network potentials #compchem #theochem Researcher at Orbital Materials

Assistant Professor @bitspilanidubai, Former Postdoc @uiowachem, @USDChemistry, Computational Chemist, Indian, @IITKgp and @uniOFcalcutta alumnus

Sabyasachi Roy Chowdh... @rcsabya

253 Followers 583 Following Assistant Professor @bitspilanidubai, Former Postdoc @uiowachem, @USDChemistry, Computational Chemist, Indian, @IITKgp and @uniOFcalcutta alumnus

Tomoaki Kinjo @tkinjo8

5K Followers 6K Following Postdoc in Kuhlman lab @UNC_BCBP Computational protein design for cancer immunotherapy

Joseph J Gair @JosephJGair1

2K Followers 3K Following Assistant prof at Michigan State @MSUchem. Big fan of catalyst-controlled selectivity. he/him

Protein biophysicist @BiophysicalSoc #ResearchWithUndergrads @MERCURY_NSF @APSDBIO @SOBLA_BIOF @CreightonCURAS #EducationResearch @BiophysicistJ @AAPTHQ

Patricia Soto @PatSoto_BioPhys

349 Followers 563 Following Protein biophysicist @BiophysicalSoc #ResearchWithUndergrads @MERCURY_NSF @APSDBIO @SOBLA_BIOF @CreightonCURAS #EducationResearch @BiophysicistJ @AAPTHQ

Luigi Bonati @LuigiBonati

1K Followers 599 Following Researcher @IITalk - Working on atomistic simulations, machine learning & enhanced sampling

Aditya Nandy @realadityanandy

823 Followers 400 Following Assistant Professor at UCLA (@UCLA @UclaCBE). (B.S. @UCBerkeley, Ph.D. @ChemistryMIT, Postdoc @UChicago). he/him

Stefan Vučković @stefan_theochem

890 Followers 1K Following Head of Theoretical Chemistry lab at University of Fribourg (🇨🇭). From 🇷🇸. Views are my own

#MolecularSimulation #ComputationalBiology. @BSRC_Fleming.Past: @Cambridge_Chemistry (Bodossaki PD fellow, FEBS PD fellow),@ETHZ. @UvA_Amsterdam (PhD)

Faidon Brotzakis @FBrotzakis

950 Followers 872 Following #MolecularSimulation #ComputationalBiology. @BSRC_Fleming.Past: @Cambridge_Chemistry (Bodossaki PD fellow, FEBS PD fellow),@ETHZ. @UvA_Amsterdam (PhD)

Andrew S. Rosen @Andrew_S_Rosen

8K Followers 3K Following Assistant Professor at @Princeton. Quantum-chemical engineer.

Comp biophys @ Earlham: Biomembranes, comp oncology. Reducing distracted hyperbusyness. Decolonizing sylabi. @mglerner@mastodon.cloud @mglerner.bsky.social

Michael Lerner @mglerner

854 Followers 2K Following Comp biophys @ Earlham: Biomembranes, comp oncology. Reducing distracted hyperbusyness. Decolonizing sylabi. @[email protected] @mglerner.bsky.social

Jayashrita Debnath @Jayashrita

470 Followers 650 Following Postdoc @MPIBP, PhD @GroupParrinello @ETH_DCHAB, BS-MS Chemistry @IITKanpur

Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own, not RTs

Adrian Mulholland @AdrianMulholla1

3K Followers 5K Following Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own, not RTs

Maître-assistant @gervasiolab @unige_en | PostDoc @GroupParrinello | Computational physicist, #MolecularDynamics #Biophysics
🦋 https://t.co/ABvRYaKnZS

Valerio Rizzi @ValerioRizzi33

172 Followers 295 Following Maître-assistant @gervasiolab @unige_en | PostDoc @GroupParrinello | Computational physicist, #MolecularDynamics #Biophysics 🦋 https://t.co/ABvRYaKnZS

Disordered proteins, nucleic acids and their dynamics complexes & condensates. Integrating simulations and experiments.

Lukas Stelzl @l_stelzl

2K Followers 1K Following Disordered proteins, nucleic acids and their dynamics complexes & condensates. Integrating simulations and experiments.

We are a computational research group @UniofNewcastle led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology.

Cole Group @ColeGroupNCL

3K Followers 1K Following We are a computational research group @UniofNewcastle led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology.

Giorgino Lab @giorginolab

420 Followers 715 Following Migrated to @giorginolab.bsky.social . Computational physicist, et al. Only personal views. And rants.

Cristina Trujillo �... @Trujillo_Group

4K Followers 3K Following Computational Organic Chemist @UoMChemistry. #compchem. Mum of 3 boys 🤩. Cyclist, yogi, cook, rock. Views my own.

Assistant Prof @uoCHandBIC, PostDoc @GroupParrinello @IITalk Genoa, PhD @UCIChemistry, BS-MS @iiserkol, Computational Biophysics (ML and MD Simulation)

Dhiman Ray @DhimanRay16

1K Followers 765 Following Assistant Prof @uoCHandBIC, PostDoc @GroupParrinello @IITalk Genoa, PhD @UCIChemistry, BS-MS @iiserkol, Computational Biophysics (ML and MD Simulation)

Derek van Tilborg @DerekvTilborg

690 Followers 497 Following PhD candidate in molecular fortune telling @TUeindhoven 🇳🇱 - @molecularML. Follow me on BlueSky: https://t.co/BPTUmQWs31

Theoretical Chemist; Group leader @ChemPWr; interested in biomolecular (photo)chemistry and in the origins of life; avid runner; @rafal-szabla.bsky.social

Rafał Szabla @rafal_szabla

2K Followers 1K Following Theoretical Chemist; Group leader @ChemPWr; interested in biomolecular (photo)chemistry and in the origins of life; avid runner; @rafal-szabla.bsky.social

Antonia Mey @ppxasjsm

1K Followers 723 Following PhD, Chancellor's Fellow @EdinburghChem, Computational Chemist and Maths public engagement enthusiast. (she/her) 🇺🇦

Pratiksha Gaikwad @QPratz_chem

352 Followers 1K Following Ph.D. student at @UF in @GroupQuintana | MolSSI fellow | Quantum Chemistry - Theory & Computation

Cell signaling, protein and membrane dynamics in complex environments @ChemistryUIUC Biophysics & Quantitative Biology @BeckmanInst @NCSAatIllinois @UofIllinois

Taras Pogorelov @TarasPogorelov

2K Followers 4K Following Cell signaling, protein and membrane dynamics in complex environments @ChemistryUIUC Biophysics & Quantitative Biology @BeckmanInst @NCSAatIllinois @UofIllinois

Computational physicist @PeptoneLtd. (PhD @GroupParrinello, PostDoc @FrankNoeBerlin). AI for Science, Molecular Dynamics, Enhanced Sampling

Michele Invernizzi @inve_michele

838 Followers 480 Following Computational physicist @PeptoneLtd. (PhD @GroupParrinello, PostDoc @FrankNoeBerlin). AI for Science, Molecular Dynamics, Enhanced Sampling

Scientist • Chemist 👩🏼‍🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺

Mireille V. Krier @mvkrier

1K Followers 4K Following Scientist • Chemist 👩🏼‍🔬 •Software for Pharma/Chemical Industry • Need to know about molecules at the atomic level•Mom of Twins 🇱🇺🇪🇺

Head of Computational Structural Biology Lab @institutpasteur. ERC-CoG 2022 @ERC_Research. DR @CNRS. Founder/developer @plumed_org

Max Bonomi @BonomiMax

4K Followers 3K Following Head of Computational Structural Biology Lab @institutpasteur. ERC-CoG 2022 @ERC_Research. DR @CNRS. Founder/developer @plumed_org

Asst. Prof.@Wayne State, computational simulations of fluorescent biomolecules! @arwalker_on_gpu@fediscience.org 💙arwalker

Alice Walker @arwalker_on_gpu

912 Followers 826 Following Asst. Prof.@Wayne State, computational simulations of fluorescent biomolecules! @[email protected] 💙arwalker

Research team led by Raffaello Potestio at the University of Trento, Italy. Multi-scale modelling, computational biophysics, statistical mechanics, and pizza.

Potestio Lab @r_potestio

632 Followers 732 Following Research team led by Raffaello Potestio at the University of Trento, Italy. Multi-scale modelling, computational biophysics, statistical mechanics, and pizza.

Somehow, doctor in computational chemistry.
Currently post-doc at @TU_Muenchen working with @MedBioinorgChem and Prof. Alessio Gagliardi.

Iñigo Iribarren @inigo_iribarren

967 Followers 937 Following Somehow, doctor in computational chemistry. Currently post-doc at @TU_Muenchen working with @MedBioinorgChem and Prof. Alessio Gagliardi.

Associate Professor of Chemistry at NYU Shanghai and NYU. Director of NYU-ECNU Center for Comp. Chem. Theoretical chemist interested in excited-state dynamics.

Will Glover @WilliamJGlover

943 Followers 389 Following Associate Professor of Chemistry at NYU Shanghai and NYU. Director of NYU-ECNU Center for Comp. Chem. Theoretical chemist interested in excited-state dynamics.

bussilab @bussilab

2K Followers 12 Following Research group lead by @BussiGio at @SissaSchool | #RNA, #moleculardynamics, and more | https://t.co/BDCD1PfyEH

Science Informatics & Health Analytics @virginia_tech in R&I @VTLibraries, comp biochem+drug design+#alzheimers researcher

Anne M. Brown @Biochem_Anne

374 Followers 363 Following Science Informatics & Health Analytics @virginia_tech in R&I @VTLibraries, comp biochem+drug design+#alzheimers researcher

Dr. Antonija Kuzmanic @ant0ninja

268 Followers 313 Following Research Leader @IsomorphicLabs. Molecular Biologist turned Computational Biophysicist. Master of none. She/her.

Assistant professor at NCU. Developing methods for atomistic simulations. Building a research group!

Before: @AIST_EN, @CompBioPhys and @GroupParrinello.

Jakub Rydzewski @jkrd... @JakubRydzewski

538 Followers 602 Following Assistant professor at NCU. Developing methods for atomistic simulations. Building a research group! Before: @AIST_EN, @CompBioPhys and @GroupParrinello.

Cédric Bouysset @cedricbouysset

613 Followers 357 Following Cheminformatics Research Scientist 👨‍🔬 PhD in Chemistry 🟦 https://t.co/pYgKQQYiOv

Cheng Fang @chengthefang

240 Followers 465 Following Computational Scientist in Drug Discovery and Reaction Modeling

Ruibin Liu @ruibinliuphd

42 Followers 179 Following Computational Chemistry for drug design and biological system simulations.

Aarion Romany @AarionRomany

159 Followers 246 Following Graduate Student | Computational Chemistry | Pharmaceutical Sciences, University of Maryland, Baltimore

Assistant Professor @USC @USCViterbi; Former @StanfordEng MechE & @StanfordUChem. Bridging quantum chemistry with reacting flow modeling.

Rui (Ray) Xu @DrRuiXu

207 Followers 267 Following Assistant Professor @USC @USCViterbi; Former @StanfordEng MechE & @StanfordUChem. Bridging quantum chemistry with reacting flow modeling.

A computational biophysicist, integrative structural modeller, currently working on membrane transporters using computer simulations.

Yong Wang @yongwangKU

698 Followers 1K Following A computational biophysicist, integrative structural modeller, currently working on membrane transporters using computer simulations.

Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
https://t.co/UWWjeIIITL

Alessandra Magistrato @Magistrato_Lab

1K Followers 871 Following Research Director, CNR-IOM @ SISSA, Head of Laboratory for Computational Chemistry and Biochemistry https://t.co/UWWjeIIITL

We are a theoretical & computer simulation group, which studies biomolecular, condensed phase, quantum mechanical & materials systems @UChicago

Voth Group @VothGroup

1K Followers 47 Following We are a theoretical & computer simulation group, which studies biomolecular, condensed phase, quantum mechanical & materials systems @UChicago

Father, husband, son. Tenured scientist @CSIC. Polluted/burned #soil. #Agriculture. #Biorefinery assisted soil management. #Residues. #EcoEfficiency

Juan José Villaverde @JuanJVillaverde

1K Followers 1K Following Father, husband, son. Tenured scientist @CSIC. Polluted/burned #soil. #Agriculture. #Biorefinery assisted soil management. #Residues. #EcoEfficiency

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