نتایج جستجو برای: ligand and ensemble effects
تعداد نتایج: 17062255 فیلتر نتایج به سال:
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach
this thesis attempts to investigate the effects of prelistening activities on enhancing iranian efl learners` listening comprehension. the present study investigated ways in which learners` background knowledge could be activated in order to enhance their l2 listening comprehension by limiting the number of possible text interpretations prior to listening. the experiments conducted in this stud...
According to implicit ligand theory, the standard binding free energy is an exponential average of the binding potential of mean force (BPMF), an exponential average of the interaction energy between the unbound ligand ensemble and a rigid receptor. Here, we use the fast Fourier transform (FFT) to efficiently evaluate BPMFs by calculating interaction energies when rigid ligand configurations fr...
building on previous studies on the effectiveness of different types of written corrective feedback, the present study aimed at investigating whether direct focused corrective feedback and direct unfocused corrective feedback produced any differential effects on the accurate use of english articles by efl learners across two different proficiency levels (low and high). in current study, the par...
some new water-soluble schiff base complexes of na2[m(5-so3-1,2-salophen)].nh2o; (5-so3-1,2-salophen = n,n’-bis(5-sulphosalicyliden)-1,2-phenylendiamine); na2[m(5-so3-2,3-salpyr)(h2o)n].2h2o; (5-so3-2,3-salpyr = n,n’-bis(5-sulphosalicyliden)-2,3-diaminopyridine); and na2[m(5-so3-3,4-salbenz)(h2o)n].nh2o; (5-so3-3,4-salbenz = n,n’-bis(5-sulphosalicyliden)-3,4-diaminobenzophenon); where m = cu, n...
there has been a gradual shift of focus from the study of rule systems, which have increasingly been regarded as impoverished, … to the study of systems of principles, which appear to occupy a much more central position in determining the character and variety of possible human languages. there is a set of absolute universals, notions and principles existing in ug which do not vary from one ...
although there are studies on pragmatic assessment, to date, literature has been almost silent about native and non-native english raters’ criteria for the assessment of efl learners’ pragmatic performance. focusing on this topic, this study pursued four purposes. the first one was to find criteria for rating the speech acts of apology and refusal in l2 by native and non-native english teachers...
drought is transient phenomenon , slow , repetitive and integral part of the climate of each region. drought begins with a substantial reduction in precipitation over the long-term average rainfall and over time, reduced soil moisture and surface and ground water resources will continue to decrease. this phenomenon is the most important in bakhtegan basin because of its importance in strategic ...
Ligands for several transcription factors can act as agonists under some conditions and antagonists under others. The structural and molecular bases of such effects are unknown. Previously, we demonstrated how the folding of intrinsically disordered (ID) protein sequences, in particular, and population shifts, in general, could be used to mediate allosteric coupling between different functional...
We review the first successes and failures of a "new wave" of quantum chemistry-based approaches to the treatment of protein/ligand interactions. These approaches share the use of "enhanced", dispersion (D), and/or hydrogen-bond (H) corrected density functional theory (DFT) or semi-empirical quantum mechanical (SQM) methods, in combination with ensemble weighting techniques of some form to capt...
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