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1Academic Journal
المؤلفون: Margarita Stampelou, Graham Ladds, Antonios Kolocouris
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, rank candidate drugs, produce accurate results, mean unsigned error, inactive human adenosine, extracellular loop 2, 56 kcal mol, relative residence times, multistate alphafold 2, longer residence times, thermodynamic binding calculations, improved drug molecules, blocked ligand ’, af )- derived, 3 , 2 , three homology models, thermodynamic data (<, kinetic binding data, thermodynamic integration coupled, stronger binding affinities, ramd method showed, md calculations produced
الاتاحة: https://doi.org/10.1021/acs.jpcb.3c05986.s001
https://figshare.com/articles/journal_contribution/Computational_Workflow_for_Refining_AlphaFold_Models_in_Drug_Design_Using_Kinetic_and_Thermodynamic_Binding_Calculations_A_Case_Study_for_the_Unresolved_Inactive_Human_Adenosine_A_sub_3_sub_Receptor/25021296 -
2Academic Journal
المؤلفون: Aleksandra Leszczyk (10506455), Mihály Máté (11886481), Örs Legeza (1286643), Katharina Boguslawski (1286640)
مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Neuroscience, Physiology, Evolutionary Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, potential energy surfaces, experimental reference data, electronic wave functions, computationally inexpensive way, avoided crossing regions, produce accurate results, pair coupled cluster, coupled cluster doubles, molecules featuring single, conventional single, accurate theoretical, various small, test system, spectroscopic constants, quadruple bonds, polynomial cost, hydrogen chains, hextuple bond, dissociation pathway, describe static, breaking processes, barrier heights
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3Image
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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4Image
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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5
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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6
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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7
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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8Image
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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9Image
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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10
المؤلفون: Gal Koplewitz (11996983), Fred Lu (4261372), Leonardo Clemente (11996986), Caroline Buckee (313942), Mauricio Santillana (528516)
مصطلحات موضوعية: Biotechnology, Cancer, Infectious Diseases, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, finer spatial resolutions, assume short delays, assume long delays, aggregated weather variables, 6 &# 8211, 1 &# 8211, weekly incidence counts, framework achieves meaningful, 3 weeks ), multiple data sources, different data sources, produce accurate predictions, combat dengue infections, aedes aegypti mosquito, based data sources, 20 different cities, despite significant efforts, brazil , data sources, 20 cities, different demographic, epidemiological data, methodological framework, dengue incidence
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11Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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12Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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13Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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14Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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15Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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16Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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17Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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18Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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19Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount
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20Image
المؤلفون: Dennis Eschweiler (10323362), Malte Rethwisch (11785484), Mareike Jarchow (11785487), Simon Koppers (11785490), Johannes Stegmaier (285361)
مصطلحات موضوعية: Biotechnology, Plant Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, wise working principle, microscopy image data, many biomedical experiments, make publicly available, generate image data, dependent intensity characteristics, cellular structures enables, art deep learning, annotated data sets, additional positional conditioning, 3d fluorescence microscopy, 3d cellular structures, size reassemble strategy, mask simulation approaches, different quality levels, annotated training data, benchmarking , different organisms, based approaches, arbitrary size, subsequent full, reproducible way, produce accurate, often compromised, manual interaction, increasing amount