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1.
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
J Comput Chem
; 44(20): 1719-1732, 2023 Jul 30.
Article
in English
| MEDLINE | ID: mdl-37093676
2.
Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge Prediction.
Mol Pharm
; 20(5): 2600-2611, 2023 05 01.
Article
in English
| MEDLINE | ID: mdl-37017675
3.
ezCADD: A Rapid 2D/3D Visualization-Enabled Web Modeling Environment for Democratizing Computer-Aided Drug Design.
J Chem Inf Model
; 59(1): 18-24, 2019 01 28.
Article
in English
| MEDLINE | ID: mdl-30403855
4.
Characterization of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidases from Borrelia burgdorferi: Antibiotic targets for Lyme disease.
Biochim Biophys Acta Gen Subj
; 1864(1): 129455, 2020 01.
Article
in English
| MEDLINE | ID: mdl-31669585
5.
Molecular insights into the improved clinical performance of PEGylated interferon therapeutics: a molecular dynamics perspective.
RSC Adv
; 8(5): 2315-2322, 2018 Jan 09.
Article
in English
| MEDLINE | ID: mdl-35541455
6.
Experimental identification and computational characterization of a novel extracellular metalloproteinase produced by Clostridium sordellii.
RSC Adv
; 7(23): 13928-13938, 2017 Mar 02.
Article
in English
| MEDLINE | ID: mdl-28515901
7.
MSBIS: A Multi-Step Biomedical Informatics Screening Approach for Identifying Medications that Mitigate the Risks of Metoclopramide-Induced Tardive Dyskinesia.
EBioMedicine
; 26: 132-137, 2017 Dec.
Article
in English
| MEDLINE | ID: mdl-29191560
8.
Assessing and predicting drug-induced anticholinergic risks: an integrated computational approach.
Ther Adv Drug Saf
; 8(11): 361-370, 2017 Nov.
Article
in English
| MEDLINE | ID: mdl-29090085
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