المؤلفون: Hiroko X. Kondo, Yu Takano

المصدر: Life, Vol 12, Iss 2, p 210 (2022)

مصطلحات موضوعية: heme distortion, pocket rigidity, protein environment, hemoglobin, myoglobin, MD simulation, Science

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2075-1729/12/2/210; https://doaj.org/toc/2075-1729

URL الوصول: https://doaj.org/article/fbf0879cc416479ba122e55a2b5e47f3

المؤلفون: Zuehlsdorff, Tim Joachim^Aff2

المساهمون: Zuehlsdorff, Tim Joachim^Aff1

المصدر: Computing the Optical Properties of Large Systems. :167-185

المؤلفون: Giuseppe Sciortino, Agustí Lledós, Jean-Didier Maréchal, Eric Mates-Torres, José-Emilio Sánchez-Aparicio

المصدر: Faraday Discussions. 234:349-366

مصطلحات موضوعية: Scaffold protein, Molecular dynamics, Protein environment, Computational chemistry, Chemistry, Enantioselective synthesis, Moiety, Substrate (chemistry), Physical and Theoretical Chemistry, Diffusion (business), Electronic properties

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::420e4cf39998e3a15c553ab94765b4cc
https://doi.org/10.1039/d1fd00069a

المؤلفون: Cheng-Xing Cui, Ya-Jun Liu, Ya-Jie Guo

المصدر: Photochemistry and Photobiology. 98:184-192

مصطلحات موضوعية: Exergonic reaction, Firefly protocol, Fireflies, Firefly luciferin, Model system, macromolecular substances, General Medicine, Firefly Luciferin, Models, Theoretical, Biochemistry, Luciferin, chemistry.chemical_compound, Protein environment, chemistry, Luciferases, Firefly, Luciferins, Luminescent Measurements, Animals, Bioluminescence, Amino Acids, Physical and Theoretical Chemistry, Amino acid residue, Biological system

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64d714297c0d157b941970da845cbe47
https://doi.org/10.1111/php.13496

المؤلفون: Ting Ran, Hongming Chen, Mingyuan Xu

المصدر: Journal of Chemical Information and Modeling. 61:3240-3254

مصطلحات موضوعية: Models, Molecular, Binding Sites, Computer science, General Chemical Engineering, Proteins, Quantitative Structure-Activity Relationship, General Chemistry, Plasma protein binding, Computational biology, Library and Information Sciences, Ligand (biochemistry), Chemical space, Computer Science Applications, Constraint (information theory), Generative model, Protein environment, Docking (molecular), Molecule, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2b5dcfbe6bb3c139a4702fe15d35848
https://doi.org/10.1021/acs.jcim.0c01494

المؤلفون: Idupulapati, N. B.^Aff1, Mainardi, D. S.^Aff1

المساهمون: Balbuena, Perla B., editor^AffID1, Subramanian, Venkat R., editor^AffID2

المصدر: Theory and Experiment in Electrocatalysis. 50:243-274

المؤلفون: Larsen, D. S.^Aff2, van Grondelle, R.^Aff3, Hellingwerf, K. J.^Aff3

المساهمون: Braun, Markus, editor^Aff1, Gilch, Peter, editor^Aff1, Zinth, Wolfgang, editor^Aff1

المصدر: Ultrashort Laser Pulses in Biology and Medicine. :165-199

المؤلفون: Lopez, X., Marques, M.A.L.

المساهمون: Beig, R., editor, Beiglböck, W., editor, Domcke, W., editor, Englert, B.-G., editor, Frisch, U., editor, Hänggi, P., editor, Hasinger, G., editor, Hepp, K., editor, Hillebrandt, W., editor, Imboden, D., editor, Jaffe, R. L., editor, Lipowsky, R., editor, Löhneysen, H. v., editor, Ojima, I., editor, Sornette, D., editor, Theisen, S., editor, Weise, W., editor, Wess, J., editor, Zittartz, J., editor, Marques, Miguel A.L., editor^Aff1, Ullrich, Carsten A., editor^Aff2, Nogueira, Fernando, editor^Aff3, Rubio, Angel, editor^Aff4, Burke, Kieron, editor^Aff5, Gross, Eberhard K. U., editor^Aff6

المصدر: Time-Dependent Density Functional Theory. 706:323-336

المؤلفون: Kondov, Ivan^Aff5, Wang, Haobin^Aff6, Thoss, Michael^Aff5

المساهمون: Wagner, Siegfried, editor^Aff1, Hanke, Werner, editor^Aff2, Bode, Arndt, editor^Aff3, Durst, Franz, editor^Aff4

المصدر: High Performance Computing in Science and Engineering, Munich 2004 : Transactions of the Second Joint HLRB and KONWIHR Status and Result Workshop, March 2–3, 2004, Technical University of Munich, and Leibniz-Rechenzentrum Munich, Germany. :211-223

المؤلفون: Yue Huang, Jian Ji, Qiao Jin, Xu Li

المصدر: Nanoscale. 13:19857-19863

مصطلحات موضوعية: Chemistry, Ligand, High protein, Metal Nanoparticles, Nanoparticle, Ligands, Antiviral Agents, Combinatorial chemistry, Protein environment, In vivo, Colloidal gold, Viruses, Humans, Nanomedicine, General Materials Science, Gold

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::96f451904e7bc0c7e52454a5bd7b99b7
https://doi.org/10.1039/d1nr06756g