Two Rules on the Protein-Ligand Interaction

So far, we still lack a clear molecular mechanism to explain the protein-ligand interaction on the basis of electronic structure of a protein. By combining the calculation of the full electronic structure of a protein along with its hydrophobic pocket and the perturbation theory, we found out two rules on the protein-ligand interaction. One rule is the interaction only occurs between the lowest unoccupied molecular orbitals (LUMOs) of a protein and the highest occupied molecular orbital (HOMO) of its ligand, not between the HOMOs of a protein and the LUMO of its ligand. The other rule is only those residues or atoms located both on the LUMOs of a protein and in a surface pocket of a protein are activity residues or activity atoms of the protein and the corresponding pocket is the ligand binding site. These two rules are derived from the characteristics of energy levels of a protein and might be an important criterion of drug design

Documenting Liberal Arts Education from a Faculty\u27s Perspective: the Rollins College Oral History Archive

Academic archivists have an opportunity to document the lives of key members of the institution. An oral history interview is one way of effectively presenting and preserving institutional history from multiple perspectives. This article discusses a recent oral history program at Rollins College conducted by the College Archives as part of a student-faculty research project. These oral history interviews add human voices to the existing archival records and enhance the understanding of liberal arts education from a faculty\u27s perspective. As a tool to survey and preserve institutional history, the Rollins oral history research program provided students with meaningful learning experiences, raised the awareness of the special collections, and promoted the value of the archival services in the academic community. The program had as a long-term objective the establishment of a new college tradition to interview each faculty member upon his or her retirement

Should we Set a Formalized Discharge Instruction Education Standard?

Smart AIM: With a more formalized discharge instruction evaluation process for PGY-1s, discharge instructions for specific diagnoses will have less error in a year’s time.https://jdc.jefferson.edu/patientsafetyposters/1035/thumbnail.jp

Comorbid Medical Conditions as Predictors of Overall Survival in Glioblastoma Patients

Glioblastoma (GBM) is an aggressive central nervous system tumor with a poor prognosis. This study was conducted to determine any comorbid medical conditions that are associated with survival in GBM. Data were collected from medical records of all patients who presented to VCU Medical Center with GBM between January 2005 and February 2015. Patients who underwent surgery/biopsy were considered for inclusion. Cox proportional hazards regression modeling was performed to assess the relationship between survival and sex, race, and comorbid medical conditions. 163 patients met inclusion criteria. Comorbidities associated with survival on individual-characteristic analysis included: history of asthma (Hazard Ratio [HR]: 2.63; 95% Confidence Interval [CI]: 1.24–5.58; p = 0.01), hypercholesterolemia (HR: 1.95; 95% CI: 1.09–3.50; p = 0.02), and incontinence (HR: 2.29; 95% CI: 0.95–5.57; p = 0.07). History of asthma (HR: 2.22; 95% CI: 1.02–4.83; p = 0.04) and hypercholesterolemia (HR: 1.99; 95% CI: 1.11–3.56; p = 0.02) were associated with shorter survival on multivariable analysis. Surgical patients with GBM who had a prior history of asthma or hypercholesterolemia had significantly higher relative risk for mortality on individual-characteristic and multivariable analyses