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1دورية أكاديمية
المؤلفون: Xiaoliang Pan, Richard Van, Jingzhi Pu, Kwangho Nam, Yuezhi Mao, Yihan Shao
مصطلحات موضوعية: Biophysics, Biochemistry, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, free energy contributions, enzyme mechanistic studies, ab initio <, reaction free energy, chorismate mutase reaction, individual residue contributions, free energy barrier, reaction coordinate, readily obtained, mutant design, highly desirable, enzymatic reactions
الإتاحة: https://doi.org/10.1021/acs.jctc.3c00973.s001Test
https://figshare.com/articles/journal_contribution/Free_Energy_Profile_Decomposition_Analysis_for_QM_MM_Simulations_of_Enzymatic_Reactions/24538964Test -
2دورية أكاديمية
المؤلفون: Xiaoliang Pan (1609690), Junjie Yang (219166), Richard Van (9406158), Evgeny Epifanovsky (1289019), Junming Ho (1342764), Jing Huang (41604), Jingzhi Pu (1767559), Ye Mei (1441699), Kwangho Nam (1318347), Yihan Shao (1338777)
مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, representative configurations along, external electrostatic potential, ab initio quantum, chorismate mutase reactions, machine learning potentials, 0 kcal mol, 0 kcal, semiempirical (<, se <, reaction pathway, performing machine, limited effort, enzymatic reactions, developing stable, deepmd representation, computational cost, biomolecular simulations, alternative strategy, ai <
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3دورية أكاديمية
المؤلفون: Jia-Ning Wang (291504), Wei Liu (20030), Pengfei Li (290581), Yan Mo (5368931), Wenxin Hu (1633882), Jun Zheng (207297), Xiaoliang Pan (1609690), Yihan Shao (1338777), Ye Mei (1441699)
مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, nucleophilic addition reaction, Free Energy Profile, QM region, method, MM, scheme, molecule, simulation results show
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4
المؤلفون: Lijun Liu, Dingwa Zhang, Deyong He, Xiaoliang Pan
المصدر: Journal of the Serbian Chemical Society, Vol 85, Iss 10, Pp 1265-1278 (2020)
مصطلحات موضوعية: biology, molecular modeling, Kinase, Chemistry, missense mutation, human cancer, Mutant, Active site, General Chemistry, 010402 general chemistry, 01 natural sciences, Molecular mechanics, 0104 chemical sciences, inhibitor, lcsh:Chemistry, lcsh:QD1-999, Biochemistry, Protein kinase domain, biology.protein, Missense mutation, biomolecular interaction, ERBB3, ERBB4
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ec68143b43f6dfc48e724afcd6b8946Test
https://doi.org/10.2298/jsc191124028zTest -
5
المؤلفون: Lijun Liu, Dingwa Zhang, Ya-Ping Xu, Deyong He, Xiaoliang Pan
المصدر: Chemical Papers. 73:2469-2476
مصطلحات موضوعية: chemistry.chemical_classification, Alanine, Chemistry, Stereochemistry, General Chemical Engineering, PDZ domain, Stacking, Peptide, Peptide binding, 02 engineering and technology, General Chemistry, Periplasmic space, 010402 general chemistry, 021001 nanoscience & nanotechnology, medicine.disease_cause, 01 natural sciences, Biochemistry, Industrial and Manufacturing Engineering, 0104 chemical sciences, chemistry.chemical_compound, Materials Chemistry, medicine, Aromatic amino acids, 0210 nano-technology, Escherichia coli
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::02e0538a3aa0a56155610138573a0792Test
https://doi.org/10.1007/s11696-019-00797-8Test -
6
المؤلفون: Deyong He, Lijun Liu, Xiaoliang Pan, Dingwa Zhang
المصدر: Protein and peptide letters. 27(10)
مصطلحات موضوعية: Muscle Proteins, Peptide, Peptide binding, Biochemistry, Protein–protein interaction, 03 medical and health sciences, 0302 clinical medicine, Structural Biology, Native state, Humans, Transcription factor, 030304 developmental biology, Adaptor Proteins, Signal Transducing, chemistry.chemical_classification, 0303 health sciences, Hippo signaling pathway, Rational design, TEA Domain Transcription Factors, YAP-Signaling Proteins, General Medicine, DNA-Binding Proteins, chemistry, Cyclization, 030220 oncology & carcinogenesis, Intramolecular force, Multiprotein Complexes, Biophysics, Peptides, Transcription Factors
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8bf68b2c850069ef7b15c12794f1c5fdTest
https://pubmed.ncbi.nlm.nih.gov/32286937Test -
7
المؤلفون: Lijun Liu, Ling Huang, Xiaoliang Pan, Yaping Xu, Deyong He
المصدر: Molecular Simulation. 43:176-182
مصطلحات موضوعية: 0301 basic medicine, chemistry.chemical_classification, Phosphopeptide, Kinase, General Chemical Engineering, Ligand binding assay, Rational design, General Chemistry, Condensed Matter Physics, PLK1, Amino acid, Domain (software engineering), 03 medical and health sciences, 030104 developmental biology, Biochemistry, chemistry, Modeling and Simulation, Biophysics, Phosphorylation, General Materials Science, Information Systems
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::b694e1104163b0179fa1d567d3d78770Test
https://doi.org/10.1080/08927022.2016.1244605Test -
8
المؤلفون: Genwei Zhang, Renmeng Liu, Zhibo Yang, Mei Sun, Xiaoliang Pan
المصدر: Anal Chim Acta
مصطلحات موضوعية: Cell, Population, Computational biology, Mass spectrometry, Biochemistry, Mass Spectrometry, Article, Analytical Chemistry, Biological pathway, Metabolomics, medicine, Environmental Chemistry, Humans, Single probe, Least-Squares Analysis, education, Spectroscopy, education.field_of_study, Chemistry, Discriminant Analysis, medicine.anatomical_structure, Workflow, Phenotype, Cancer cell, Single-Cell Analysis, Biomarkers
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::209bffabda2f4affd6e491c1ab48bb72Test
https://pubmed.ncbi.nlm.nih.gov/30982520Test -
9
المؤلفون: Yaping Xu, Xiaoliang Pan, Deyong He, Ling Huang, Lijun Liu
المصدر: Journal of bioinformatics and computational biology. 14(5)
مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, Protein Conformation, Drug Evaluation, Preclinical, Mutation, Missense, 030204 cardiovascular system & hematology, Lipstatin, Biochemistry, Polymorphism, Single Nucleotide, 03 medical and health sciences, chemistry.chemical_compound, Lactones, 0302 clinical medicine, Cetilistat, Humans, Genetic Predisposition to Disease, Obesity, Enzyme Inhibitors, Molecular Biology, chemistry.chemical_classification, Lipoprotein lipase, biology, Active site, Molecular biology, Enzyme assay, Computer Science Applications, Lipoprotein Lipase, 030104 developmental biology, Enzyme, chemistry, Lipase inhibitors, biology.protein, Anti-Obesity Agents, Chylomicron
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7431df986c691f427e7d77a34004d66Test
https://pubmed.ncbi.nlm.nih.gov/27427383Test