124 related articles for article (PubMed ID: 32304985)
1. Role of ring positioning and preferential occupation of ligand obtained through molecular dynamics simulation of peptidoglycan associated lipoprotein (Pal).
Ahmad F; Azam SS
J Mol Graph Model; 2020 Jul; 98():107585. PubMed ID: 32304985
[TBL] [Abstract][Full Text] [Related]
2. Insight into natural inhibitors and bridging docking to dynamic simulation against sugar Isomerase (SIS) domain protein.
Ahmad F; Shabaz Z; Azam SS
J Mol Model; 2020 Aug; 26(8):221. PubMed ID: 32748070
[TBL] [Abstract][Full Text] [Related]
3. Binding mode analysis, dynamic simulation and binding free energy calculations of the MurF ligase from Acinetobacter baumannii.
Ahmad S; Raza S; Uddin R; Azam SS
J Mol Graph Model; 2017 Oct; 77():72-85. PubMed ID: 28843462
[TBL] [Abstract][Full Text] [Related]
4. Molecular dynamics simulation studies of novel β-lactamase inhibitor.
Ul Haq F; Abro A; Raza S; Liedl KR; Azam SS
J Mol Graph Model; 2017 Jun; 74():143-152. PubMed ID: 28432959
[TBL] [Abstract][Full Text] [Related]
5. Targeting protein tyrosine phosphatase to unravel possible inhibitors for Streptococcus pneumoniae using molecular docking, molecular dynamics simulations coupled with free energy calculations.
Zaman Z; Khan S; Nouroz F; Farooq U; Urooj A
Life Sci; 2021 Jan; 264():118621. PubMed ID: 33164832
[TBL] [Abstract][Full Text] [Related]
6. Toward novel inhibitors against KdsB: a highly specific and selective broad-spectrum bacterial enzyme.
Ahmad S; Raza S; Abro A; Liedl KR; Azam SS
J Biomol Struct Dyn; 2019 Mar; 37(5):1326-1345. PubMed ID: 29606084
[TBL] [Abstract][Full Text] [Related]
7. Structural and dynamical aspects of Streptococcus gordonii FabH through molecular docking and MD simulations.
Shamim A; Abbasi SW; Azam SS
J Mol Graph Model; 2015 Jul; 60():180-96. PubMed ID: 26059477
[TBL] [Abstract][Full Text] [Related]
8. 3D QSAR, Docking, Molecular Dynamics Simulations and MM-GBSA studies of Extended Side Chain of the Antitubercular Drug (6S) 2-Nitro-6- {[4-(trifluoromethoxy) benzyl] oxy}-6,7-dihydro-5H-imidazo[2,1-b] [1,3] oxazine.
Chaudhari HK; Pahelkar A
Infect Disord Drug Targets; 2019; 19(2):145-166. PubMed ID: 30324898
[TBL] [Abstract][Full Text] [Related]
9. Effect of hydrophobic and hydrogen bonding interactions on the potency of ß-alanine analogs of G-protein coupled glucagon receptor inhibitors.
Venugopal PP; Das BK; Soorya E; Chakraborty D
Proteins; 2020 Feb; 88(2):327-344. PubMed ID: 31443129
[TBL] [Abstract][Full Text] [Related]
10. Identification of anti-filarial leads against aspartate semialdehyde dehydrogenase of Wolbachia endosymbiont of Brugia malayi: combined molecular docking and molecular dynamics approaches.
Amala M; Rajamanikandan S; Prabhu D; Surekha K; Jeyakanthan J
J Biomol Struct Dyn; 2019 Feb; 37(2):394-410. PubMed ID: 29334340
[TBL] [Abstract][Full Text] [Related]
11. Structural studies on molecular mechanisms of Nelfinavir resistance caused by non-active site mutation V77I in HIV-1 protease.
Gupta A; Jamal S; Goyal S; Jain R; Wahi D; Grover A
BMC Bioinformatics; 2015; 16 Suppl 19(Suppl 19):S10. PubMed ID: 26695135
[TBL] [Abstract][Full Text] [Related]
12. An integrated computational approach of molecular dynamics simulations, receptor binding studies and pharmacophore mapping analysis in search of potent inhibitors against tuberculosis.
Agarwal S; Verma E; Kumar V; Lall N; Sau S; Iyer AK; Kashaw SK
J Mol Graph Model; 2018 Aug; 83():17-32. PubMed ID: 29753941
[TBL] [Abstract][Full Text] [Related]
13. Exploring the different environments effect of piperine via combined crystallographic, QM/MM and molecular dynamics simulation study.
Saravanan K; Sivanandam M; Hunday G; Pavan MS; Kumaradhas P
J Mol Graph Model; 2019 Nov; 92():280-295. PubMed ID: 31425905
[TBL] [Abstract][Full Text] [Related]
14. The role of LasR active site amino acids in the interaction with the Acyl Homoserine Lactones (AHLs) analogues: A computational study.
Ahumedo Monterrosa M; Galindo JF; Vergara Lorduy J; Alí-Torres J; Vivas-Reyes R
J Mol Graph Model; 2019 Jan; 86():113-124. PubMed ID: 30352386
[TBL] [Abstract][Full Text] [Related]
15. Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. an In Silico Insight.
Al-Thiabat MG; Saqallah FG; Gazzali AM; Mohtar N; Yap BK; Choong YS; Wahab HA
Molecules; 2021 Feb; 26(4):. PubMed ID: 33670773
[TBL] [Abstract][Full Text] [Related]
16. Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's disease.
Iqbal S; Anantha Krishnan D; Gunasekaran K
J Biomol Struct Dyn; 2018 Nov; 36(15):4029-4044. PubMed ID: 29182053
[TBL] [Abstract][Full Text] [Related]
17. Structural insights into the binding mode of flavonols with the active site of matrix metalloproteinase-9 through molecular docking and molecular dynamic simulations studies.
Pradiba D; Aarthy M; Shunmugapriya V; Singh SK; Vasanthi M
J Biomol Struct Dyn; 2018 Nov; 36(14):3718-3739. PubMed ID: 29068268
[TBL] [Abstract][Full Text] [Related]
18. Identification of novel inhibitors against hantaviruses through 2D fingerprinting and molecular modeling approaches.
Alshammari A
Front Immunol; 2023; 14():1113321. PubMed ID: 36845113
[TBL] [Abstract][Full Text] [Related]
19. Designing of potential inhibitors against Staphylococcus aureus sortase A: Combined analogue and structure based approach with in vitro validation.
Raj KK; Ganesh Kumar V; Leela Madhuri C; Mathi P; Durga Lakshmi R; Ravi M; Sri Ramudu B; Venkata Rao SV; Ramachandran D
J Mol Graph Model; 2015 Jul; 60():89-97. PubMed ID: 26119984
[TBL] [Abstract][Full Text] [Related]
20. Structural insights into pharmacophore-assisted in silico identification of protein-protein interaction inhibitors for inhibition of human toll-like receptor 4 - myeloid differentiation factor-2 (hTLR4-MD-2) complex.
Mishra V; Pathak C
J Biomol Struct Dyn; 2019 May; 37(8):1968-1991. PubMed ID: 29842849
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
