Allege 发表于 2025-3-25 06:50:30
Alexandru Dimcaresentations of large-scale molecular assemblies. While there are many variants that may be employed, the common feature of these models is that some (or all) of the stabilizing energetic interactions are defined based on the knowledge of a particular experimentally obtained conformation. With the g切掉 发表于 2025-3-25 08:55:26
Alexandru Dimcadesign. Among the various methods to calculate protein–ligand binding affinities, alchemical free energy perturbation (FEP) calculations performed by way of explicitly solvated molecular dynamics simulations (FEP/MD) provide a thermodynamically rigorous and complete description of the binding eventWordlist 发表于 2025-3-25 13:28:49
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Alexandru Dimca be accounted for by the available physical concepts and does not require a new paradigm in thermodynamics or quantum mechanics. The difficulty encountered in studying these systems computationally is associated with the fact that enzymes are complex systems and the science of modeling complex systeDEMN 发表于 2025-3-25 21:40:08
Alexandru DimcaThe acid denaturation of Mb below pH 3.5 results in small absorption increases below 220 nm due to α-helix melting, and an absorption decrease at ~230 nm due to environmental changes of the trp and/or tyr residues. Dramatic heme Soret band changes indicate major alterations of the helve pocket. We eDECRY 发表于 2025-3-26 03:45:28
Alexandru DimcaThe acid denaturation of Mb below pH 3.5 results in small absorption increases below 220 nm due to α-helix melting, and an absorption decrease at ~230 nm due to environmental changes of the trp and/or tyr residues. Dramatic heme Soret band changes indicate major alterations of the helve pocket. We e讨厌 发表于 2025-3-26 04:42:58
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Invitation to the Trip,l and complex hyperplane arrangements. After giving some basic definitions, most of the results are stated in the plane, where the reader’s intuition can be strongly supported by drawings. Each of the themes introduced in this chapter is fully developed in a later chapter. We include a discussion offoodstuff 发表于 2025-3-26 14:33:36
Hyperplane Arrangements and Their Combinatorics,nduction technique called deletion-restriction and apply it to deduce the main properties of the characteristic polynomial and of the Poincaré polynomial of an arrangement. These polynomials enter into Zaslavsky’s Theorem expressing the number of regions (resp. bounded regions) of the complement ofMawkish 发表于 2025-3-26 20:19:01
,Orlik–Solomon Algebras and de Rham Cohomology,his algebra is isomorphic to the cohomology algebra of the complex hyperplane arrangement complement. This is the first instance of a recurring theme which says that the topology is often determined by the combinatorics. A tensor product decomposition of the Orlik–Solomon algebra of a supersolvable