المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Root_Mean_Square_Deviation_RMSD_and_conformations_during_cMD_simulations_of_apo_Argonoute_and_binary_and_ternary_complexes_/17095613

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s001

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Definition_of_the_CV_for_the_H-REMD_simulations_/17095616

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s002

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Convergence_of_the_H-REMD_simulations_/17095619

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s003

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Conformational_fluctuations_RMSF_/17095625

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s005

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/RMSD_vs_simulation_time_for_H-REMD_simulations_/17095628

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s006

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Cluster_populations_and_cluster_representatives_/17095631

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s007

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/journal_contribution/Cluster_populations_and_cluster_representatives_for_ternary_complexes_with_15_and_16_bp_guide-targed_duplexes_/17095634

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.s008

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/figure/Adaptive_H-REMD_simulation_algorithm_/17095637

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.g001

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/figure/H-REMD_simulations_on_ternary_complexes_with_14_15_or_16_bp_between_guide_and_target_DNA_strands_/17095649

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.g005

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/figure/Domain_mobility_during_H-REMD_with_domain-domain_center-of-mass_a_biasing_potentials_/17095643

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.g003

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/figure/Guide_3_-end_released_observed_in_H-REMD_of_ternary_TtAgo_with_bound_15_and_16_bp_target-guide_duplexes_/17095652

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.g006

المؤلفون: Danial Pourjafar-Dehkordi (7165523), Martin Zacharias (9025)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermus thermophilus <, many regulatory processes, hamiltonian replica exchange, complex formation results, 16 base pairs, specific biasing potential, much broader distribution, regular md simulations, opening upon guide, div >< p, accelerate domain motions, target mrna molecules, argonaute domain motion, ternary complexes compared, domain motions, domain distribution, target mrna, specific cleavage, paz domain, domain rearrangement

Relation: https://figshare.com/articles/figure/DNA_cluster_representatives_obtained_from_the_simulation_trajectories_/17095646

الاتاحة: https://doi.org/10.1371/journal.pcbi.1009625.g004

المؤلفون: Kristina S. Kisel, Julia R. Shakirova, Vladimir V. Pavlovskiy, Robert A. Evarestov, Vladislav V. Gurzhiy, Sergey P. Tunik

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Cancer, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, strongly conjugated phenanthroline, ray diffraction crystallography, radiative rate constants, pyridine coordinating fragments, pyridine chelating function, etc ., due, diimine bidentate functions, metal center coordination, position [< b, nn2 , structurally analogous complexes, 3 , metal complexes based, quantum yields vary, 1 , complexes binuclear transition, metal complexes, quantum yields, 1 %, quantum yield, complexes compared, ≪ 0, wide range

Relation: https://figshare.com/articles/journal_contribution/Unusual_Effects_of_the_Metal_Center_Coordination_Mode_on_the_Photophysical_Behavior_of_the_Rhenium_I_and_Rhenium_I_Iridium_III_Complexes/24493726

الاتاحة: https://doi.org/10.1021/acs.inorgchem.3c02915.s001
https://figshare.com/articles/journal_contribution/Unusual_Effects_of_the_Metal_Center_Coordination_Mode_on_the_Photophysical_Behavior_of_the_Rhenium_I_and_Rhenium_I_Iridium_III_Complexes/24493726

المؤلفون: Simon G. Rachor (11845756), Robert Müller (1553998), Philipp Wittwer (4810791), Martin Kaupp (1265817), Thomas Braun (269597)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Chemical Sciences not elsewhere classified, similar negative charges, respective iodido precursors, ray diffraction methods, obtaining similar results, characterized using nmr, complexes bearing phosphines, sensitive gold ­(, phosphine complexes compared, experimental values well, 19 , phosphine ligands, nhc complexes, fluorido complexes, highly water, heterocyclic carbenes, field shifts, explored quantum

Relation: https://figshare.com/articles/journal_contribution/Synthesis_Reactivity_and_Bonding_of_Gold_I_Fluorido_Phosphine_Complexes/17213467

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c02959.s001