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Journal of Molecular Graphics & Modelling|March 18, 2006
Binding mode analysis of the NADH cofactor in nitric oxide reductase: a theoretical studyDóra K Menyhárd, György M KeseruJournal of Molecular Graphics & Modelling|March 18, 2006
CoMFA methodology in structure-activity analysis of hexahydro- and octahydropyrido[1,2-c]pyrimidine derivatives based on affinity towards 5-HT1A, 5-HT2A and alpha1-adrenergic receptorsDorota Maciejewska, Teresa Zołek, Franciszek HeroldJournal of Molecular Graphics & Modelling|March 17, 2006
Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamicsLucas Sigman, Verónica Muriel Sánchez, Adrián Gustavo TurjanskiJournal of Molecular Graphics & Modelling|October 11, 2016
Molecular simulation study of the unbinding of α-conotoxin [ϒ4E]GID at the α7 and α4β2 neuronal nicotinic acetylcholine receptorsAbishek Suresh, Andrew HungJournal of Molecular Graphics & Modelling|April 29, 2014
In silico design of small molecule inhibitors of CDK9/cyclin T1 interactionJelena Randjelovic, Slavica Eric, Vladimir SavicJournal of Molecular Graphics & Modelling|October 11, 2016
Multi scale modeling of 2450MHz electric field effects on microtubule mechanical propertiesS S Setayandeh, A LohrasebiJournal of Molecular Graphics & Modelling|October 18, 2016
A comparative study based on docking and molecular dynamics simulations over HDAC-tubulin dual inhibitorsMalihe Hassanzadeh, Kowsar Bagherzadeh, Massoud AmanlouJournal of Molecular Graphics & Modelling|October 25, 2016
Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitorsDávid Bajusz, György G Ferenczy, György M KeserűJournal of Molecular Graphics & Modelling|February 15, 2014
Tautomerism in pyridazin-3(2H)-one: a theoretical study using implicit/explicit solvation modelsSaeed Reza Emamian, Luis Ramón Domingo, Sayyed Faramarz TayyariJournal of Molecular Graphics & Modelling|March 18, 2008
Self-contacts in Asx and Glx residues of high-resolution protein structures: role of local environment and tertiary interactionsTuhin Kumar Pal, Ramasubbu SankararamakrishnanPageof 400