Search

Results

vmdmagazinedatabase: 10 Hits

ipsoidal formations). ### ### In this package the structure of some allotropes are presented, such as graphit... alarial drug quinine. ### ### In this package the structure of some alkaloids are presented, such as caffeine... enzymes are determined by their three-dimensional structure. However, although structure does determine funct... redicting a novel enzyme's activity just from its structure is a very difficult problem that has not yet been

volarea: 5 Hits

olume as well as the surface area of any chemical structure. ### ### The surface area can be used also to map or calculate the exposed area of the structure to the solvent or to another chemical structure. Thi... sed to predict the space occupied by any chemical structure as well as that of cavities, such as tunnels, cle... ctions: one is devoted to the surface area of the structure under study and the other to its volume. These va

mm:parameters:manganese:hhe_d2: 3 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... eptococcus pneumoniae | | [[http://www.cell.com/structure/abstract/S0969-2126(98)00153-1 | [Lawrence, 1998]... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:denwawawa: 3 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... holderia sp. 383 | | [[LINK OF THE PAPER OF THE STRUCTURE | [Fedorov, 2010]]] || ===== Parameters Deter... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:copper_zinc:hhh_cu_h_zn_dhh: 3 Hits

II) \\ **Spin multiplicity:** 1 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN**... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | CU | CU | 63.546 | {{ :mm:parameter... ers ==== The validation considering the 1CBJ SOD structure was conducted. The two chains (A and B) were cons

mm:parameters:zinc:hdc_fp: 2 Hits

enzymatic coordination spheres.)) | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN**... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | ZN | ZK | 65.409 | {{ :mm:parameter

mm:parameters:zinc:hdc: 2 Hits

ters:zinc:set1.png?120 |}} | JMOL | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN**... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | ZN | ZF | 65.409 | {{ :mm:parameter

mm:parameters:manganese:ddwawawawa: 2 Hits

II) \\ **Spin multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN**... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:ded_cl: 2 Hits

) \\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:dedwawawa: 2 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:dee_so2: 2 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:hdewawawa: 2 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:ed_py2_wawa: 2 Hits

\\ **Spin Multiplicity:** 6 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:hhdh_ho: 2 Hits

\\ **Spin Multiplicity:** 5 | ---- ===== Structure chosen to parameterize ===== | **TEST PROTEIN*... M TYPE** | **NEW ATOM TYPE** | **MASS** | **STRUCTURE** | | MN | M1 | 54.938 | {{ :mm:parameter

mm:parameters:manganese:hhdh_ho_o: 2 Hits

mm:parameters:manganese:hhdhwa: 2 Hits

mm:parameters:zinc:hdcc: 2 Hits

mm:parameters:zinc:hc_d2: 2 Hits

mm:parameters:manganese:hhewawa: 2 Hits

mm:parameters:iron:cccc: 2 Hits

mm:parameters:zinc:hdc_czl: 2 Hits

mm:parameters:iron:cc_c_2: 2 Hits

mm:parameters:iron:cc_fe_ss_fe_cc: 2 Hits

biopathfinder: 2 Hits

chem-path-tracker: 2 Hits

wiki:syntax: 1 Hits

software: 1 Hits

madamm: 1 Hits

vmdmagazine: 1 Hits

molup: 1 Hits