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Issue Date
Title
Author(s)
2021
Kirkwood–Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20
Ploetz, Elizabeth A.
;
Karunaweera, Sadish
;
Bentenitis, Nikolaos
;
Chen, Feng
;
Dai, Shu
;
B. Gee, Moon
;
Jiao, Yuanfang
;
Kang, Myungshim
;
Kariyawasam, Nilusha L.
;
Naleem, Nawavi
;
Weerasinghe, Samantha
;
Smith, Paul E.
2021
Reorientational dynamics of molecules in liquid methane: A molecular dynamics simulation study
Monika Madhavi, W.A.
;
Weerasinghe, Samantha
;
Momot, Konstantin I.
2021
Identify the effect of As(III) on the structural stability of monomeric PKM2 and its carcinogenicity: A molecular dynamics and QM/MM based approach
Paligaspe, Priyani
;
Weerasinghe, Samantha
;
Dissanayake, D.P.
;
Senthilnithy, R.
2021
Characterization of a Bacillus megaterium strain with metal bioremediation potential and in silico discovery of novel cadmium binding motifs in the regulator, CadC
Kumari, W.M.N.H.
;
Thiruchittampalam, Shalini
;
Weerasinghe, Samantha
;
Chandrasekharan, N.V
;
Wijayarathna, C.D
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Author
1
B. Gee, Moon
1
Bentenitis, Nikolaos
1
Chandrasekharan, N.V
1
Chen, Feng
1
Dai, Shu
1
Dissanayake, D.P.
1
Jiao, Yuanfang
1
Kang, Myungshim
1
Kariyawasam, Nilusha L.
1
Karunaweera, Sadish
.
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Subject
1
Bacillus megaterium
1
Bioremediation potential
1
CadA
1
CadC
1
CavityPlus web server
1
Metal binding motifs
1
Molecular dynamics in liquids
1
Molecular dynamics simulation
1
Molecular dynamics simulation.
1
ONIOM two-layer
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