المؤلفون: Tania Rajpersaud, Sara Tabandeh, Lorraine Leon, Sharon M. Loverde

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Evolutionary Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, results give insight, ramachandran plots reveal, present microsecond simulations, oppositely charged polymers, oppositely charged peptides, molecular dynamics simulations, great interest due, et al .<, experimentally reported results, dependent phase behavior, model polypeptide sequences, dependent peptide conformation, underlying peptide sequence, underlying sequence, previously reported, phase separation, peptide size, peptide conformation, peptide backbone, dependent effect, subtly modulated

العلاقة: https://figshare.com/articles/journal_contribution/Molecular_Dynamics_Simulations_of_Polyelectrolyte_Complexes/25238025Test

الإتاحة: https://doi.org/10.1021/acs.biomac.3c01032.s001Test
https://figshare.com/articles/journal_contribution/Molecular_Dynamics_Simulations_of_Polyelectrolyte_Complexes/25238025Test

المؤلفون: Kevin DeBoyace, Mustafa Bookwala, Deliang Zhou, Ira S. Buckner, Peter L.D. Wildfong

مصطلحات موضوعية: Biophysics, Biochemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, classification boundary relative, molecular dynamics simulations, encode molecular attributes, logistic regression model, single 3d conformation, molecular descriptor, single three, single conformation, value predicted, structures studied, since molecules, getaway third, drug molecule, dispersibility model, chemically relevant, atomic mass, asd formation, amorphous state, amorphous form

العلاقة: https://figshare.com/articles/journal_contribution/Understanding_the_Influence_of_API_Conformations_on_Amorphous_Dispersion_Formation_Potential_Predictions_using_the_i_R_i_3_i_m_i_Molecular_Descriptor/24952355Test

الإتاحة: https://doi.org/10.1021/acs.molpharmaceut.3c00909.s001Test
https://figshare.com/articles/journal_contribution/Understanding_the_Influence_of_API_Conformations_on_Amorphous_Dispersion_Formation_Potential_Predictions_using_the_i_R_i_3_i_m_i_Molecular_Descriptor/24952355Test

المؤلفون: Sean H. Kim, Maya L. Bulos, Jennifer A. Adams, B. Koun Yun, Anthony C. Bishop

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Sociology, Computational Biology, Chemical Sciences not elsewhere classified, multiple human pathologies, human disease progression, highly activated mutant, pair variants uncovered, identified several interactions, stabilizing shp2 ’, although shp2 ’, single ion pair, type shp2 ’, open conformation src, shp2 ’, ion pair, type protein, open conformation, acid interactions, shp2 inhibition, systematic studies, strongly favors, state equilibrium, signaling studies, putative structure, open state, open form

العلاقة: https://figshare.com/articles/journal_contribution/Single_Ion_Pair_Is_Essential_for_Stabilizing_SHP2_s_Open_Conformation/25041322Test

الإتاحة: https://doi.org/10.1021/acs.biochem.3c00609.s001Test
https://figshare.com/articles/journal_contribution/Single_Ion_Pair_Is_Essential_for_Stabilizing_SHP2_s_Open_Conformation/25041322Test

المؤلفون: Jia-Min Chu, Dariya Baizhigitova, Vy Nguyen, Yong Zhang

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, true spatiotemporal resolution, reproduced experimental structural, potential improvements nitroxyl, favorable conformation changes, density functional theory, conformation change mechanism, based hno sensor, previously proposed one, reusable hno sensors, enhance hno reactivity, missing mechanistic origin, cu cyclam derivative, high hno reactivity, 2 , reusable hno detection, high reactivity, mechanistic origin, reusable detection, hno detection, one cu, cu cyclam, stable cu

العلاقة: https://figshare.com/articles/journal_contribution/Reusable_HNO_Sensors_Derived_from_Cu_Cyclam_A_DFT_Study_on_the_Mechanistic_Origin_of_High_Reactivity_and_Favorable_Conformation_Changes_and_Potential_Improvements/25137455Test

الإتاحة: https://doi.org/10.1021/acs.inorgchem.3c04506.s001Test
https://figshare.com/articles/journal_contribution/Reusable_HNO_Sensors_Derived_from_Cu_Cyclam_A_DFT_Study_on_the_Mechanistic_Origin_of_High_Reactivity_and_Favorable_Conformation_Changes_and_Potential_Improvements/25137455Test

المؤلفون: Haiqing Zhao, Hao Wu, Alex Guseman, Dulith Abeykoon, Christina M. Camara, Yamini Dalal, David Fushman, Garegin A. Papoian

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Molecular Biology, Evolutionary Biology, Developmental Biology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, thermodynamically metastable configuration, respective structural stabilities, new alternative conformation, multiscale molecular dynamics, investigating 11 types, hidden ancestral head, cryptic ancestral symmetry, circular dichroism experiments, inverted conformation arises, histone dimeric proteins, atom md simulations, archaea , inverted non, histone proteins, utilized md, study addresses, store dna, results suggest, potential formations, native dimer, multimer models

العلاقة: https://figshare.com/articles/journal_contribution/Supplemental_text_for_method_detailss_extensive_results_and_discussions_/24951952Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011721.s001Test
https://figshare.com/articles/journal_contribution/Supplemental_text_for_method_detailss_extensive_results_and_discussions_/24951952Test

المؤلفون: Roldán-Piñero, Carlos, Luengo Márquez, Juan, Assenza, Salvatore, Pérez Pérez, Rubén

المساهمون: UAM. Departamento de Física Teórica de la Materia Condensada

مصطلحات موضوعية: Elasticity, Molecular Conformation, Molecular Dynamics Simulation, Nucleic Acid Conformation, Stress, Mechanical, Física

وصف الملف: application/pdf

العلاقة: Journal of Chemical Theory and Computation; https://doi.org/10.1021/acs.jctc.3c01089Test; info:eu-repo/grantAgreement/EC/H2020/847648/EU//JUNIOR LEADER; Gobierno de España. PID2020-115864RB-I00; Journal of Chemical Theory and Computation 20.5 (2024): 2261−2272; 1549-9618 (print); 1549-9626 (online); http://hdl.handle.net/10486/711598Test; 2261; 2272; 20

الإتاحة: https://doi.org/10.1021/acs.jctc.3c01089Test
http://hdl.handle.net/10486/711598Test

المؤلفون: Jia-Min Chu, Dariya Baizhigitova, Vy Nguyen, Yong Zhang

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Sociology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, true spatiotemporal resolution, reproduced experimental structural, potential improvements nitroxyl, favorable conformation changes, density functional theory, conformation change mechanism, based hno sensor, previously proposed one, reusable hno sensors, enhance hno reactivity, missing mechanistic origin, cu cyclam derivative, high hno reactivity, 2 , reusable hno detection, high reactivity, mechanistic origin, reusable detection, hno detection, one cu, cu cyclam, stable cu

العلاقة: https://figshare.com/articles/journal_contribution/Reusable_HNO_Sensors_Derived_from_Cu_Cyclam_A_DFT_Study_on_the_Mechanistic_Origin_of_High_Reactivity_and_Favorable_Conformation_Changes_and_Potential_Improvements/25137455Test

الإتاحة: https://doi.org/10.1021/acs.inorgchem.3c04506.s001Test

المؤلفون: Tania Rajpersaud, Sara Tabandeh, Lorraine Leon, Sharon M. Loverde

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Pharmacology, Biotechnology, Evolutionary Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, results give insight, ramachandran plots reveal, present microsecond simulations, oppositely charged polymers, oppositely charged peptides, molecular dynamics simulations, great interest due, et al .<, experimentally reported results, dependent phase behavior, model polypeptide sequences, dependent peptide conformation, underlying peptide sequence, underlying sequence, previously reported, phase separation, peptide size, peptide conformation, peptide backbone, dependent effect, subtly modulated

العلاقة: https://figshare.com/articles/journal_contribution/Molecular_Dynamics_Simulations_of_Polyelectrolyte_Complexes/25238025Test

الإتاحة: https://doi.org/10.1021/acs.biomac.3c01032.s001Test

المؤلفون: Maciag, Anna, Sharma, Alok, Pei, Jun, Yang, Yue, Dyba, Marcin, Smith, Brian, Rabara, Dana, Larsen, Erik, Lightstone, Felice, Esposito, Dominic, Stephen, Andrew, Wang, Bin, Beltran, Pedro, Wallace, Eli, Nissley, Dwight, Mccormick, Frank

المصدر: Journal of Biological Chemistry, vol 300, iss 2

مصطلحات موضوعية: (31)P NMR, GTP, GTPase KRAS, GppNHp, KRAS G12C selective small-molecule inhibitor, cancer, nucleotide, protein complex, state 1 (inactive) conformation, state 2 (active) conformation, Proto-Oncogene Proteins p21(ras), ras Proteins, Guanosine Triphosphate, Magnetic Resonance Spectroscopy, Signal Transduction, Mutation

وصف الملف: application/pdf

العلاقة: qt6xq096vr; https://escholarship.org/uc/item/6xq096vrTest

الإتاحة: https://escholarship.org/uc/item/6xq096vrTest

المؤلفون: Tian Luo, Jignesh G. Patel, Xiaofeng Zhang, Jere W. McBride

مصطلحات موضوعية: Clinical Microbiology, Medical Bacteriology, Medical Infection Agents (incl. Prions), Medical Virology, Ehrlichia, antibody epitope, conformation-dependent, immunome, immunomics

العلاقة: https://figshare.com/articles/presentation/Presentation_1_Antibody_reactive_immunomes_of_Ehrlichia_chaffeensis_and_E_canis_are_diverse_and_defined_by_conformational_antigenic_determinants_pptx/24965574Test

الإتاحة: https://doi.org/10.3389/fcimb.2023.1321291.s001Test
https://figshare.com/articles/presentation/Presentation_1_Antibody_reactive_immunomes_of_Ehrlichia_chaffeensis_and_E_canis_are_diverse_and_defined_by_conformational_antigenic_determinants_pptx/24965574Test