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Journal of Molecular Graphics & Modelling|January 13, 2018
Does high pressure have any effect on the structure of alpha amylase and its ability to binding to the oligosaccharides having 3-7 residues? Molecular dynamics studyS Hooman Vahidi, Mohammad Reza Bozorgmehr, Ali Morsali, et al.
Journal of Molecular Graphics & Modelling|January 13, 2018
FilTer BaSe: A web accessible chemical database for small compound librariesBaban S Kolte, Sanjay R Londhe, Bhushan R Solanki, et al.
Journal of Molecular Graphics & Modelling|December 12, 2018
Molecular modelling and competitive inhibition of a Mycobacterium tuberculosis multidrug-resistance efflux pumpJoāo Luís Rheingantz Scaini, Alex Dias Camargo, Vinicius Rosa Seus, et al.
Journal of Molecular Graphics & Modelling|December 30, 2018
Toward steroidal anticancer drugs: Non-parametric and 3D-QSAR modeling of 17-picolyl and 17-picolinylidene androstanes with antiproliferative activity on breast adenocarcinoma cellsStrahinja Z Kovačević, Milica Ž Karadžić, Dajana V Vukić, et al.
Journal of Molecular Graphics & Modelling|December 30, 2018
QM/MM molecular modelling on mutation effect of chorismate synthase enzyme catalysisNarin Lawan, Pongsakorn Chasing, Jirapat Santatiwongchai, et al.
Journal of Molecular Graphics & Modelling|March 18, 2018
Computational study of substituent effects on the acidity, toxicity and chemical reactivity of bacteriostatic sulfonamidesCatalina Soriano-Correa, Carolina Barrientos-Salcedo, Misaela Francisco-Márquez, et al.
Journal of Molecular Graphics & Modelling|March 19, 2018
Quantum chemical study on gas phase pyrolysis of p-isopropenylphenolAnand Mohan Verma, Harshal D Kawale, Kushagra Agrawal, et al.
Journal of Molecular Graphics & Modelling|December 17, 2018
Nucleotide conjugated (ZnO)3 cluster: Interaction and optical characteristics using TDDFTIndu Kumari, Navjot Kaur, Shuchi Gupta, et al.
Journal of Molecular Graphics & Modelling|December 14, 2018
In silico identification and evaluation of potential interaction of Azadirachta indica phytochemicals with Plasmodium falciparum heat shock protein 90Michael Oluwatoyin Daniyan, Oluwatoyin Tolulope Ojo
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