| Title |
Authors |
PubMed ID |
| 1 |
In silico molecular targets, docking, dynamics simulation and physiologically based pharmacokinetics modeling of oritavancin |
Fatoki TH; Balogun TC; Ojewuyi AE; Omole AC; Olukayode OV; Adewumi AP; Umesi AJ; Ijeoma NP; Apooyin AE; Chinedu CP; Idowu IE; Isah MJ; |
39439008
CHEMBIOCHEM |
| 2 |
In Silico Study of the Early Stages of Aggregation of β-Sheet Forming Antimicrobial Peptide GL13K |
Hamidabad MN; Watson NA; Wright LN; Mansbach RA; |
38572930
PHYSICS |
| 3 |
Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibitors |
Selvaraj C; Selvaraj G; Mohamed Ismail R; Vijayakumar R; Baazeem A; Wei DQ; Singh SK; |
34220215
BIOLOGY |
| 4 |
Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation. |
Lindsay RJ, Mansbach RA, Gnanakaran S, Shen T |
33581430
PHYSICS |
| 5 |
Virtual screening, docking, and dynamics of potential new inhibitors of dihydrofolate reductase from Yersinia pestis. |
Bastos Lda C, de Souza FR, Guimarães AP, Sirouspour M, Cuya Guizado TR, Forgione P, Ramalho TC, França TC |
26494420
CHEMISTRY |
