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Journal of Computer-Aided Molecular Design|December 6, 2013
Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactionsJoseph J Crivelli, Gordon Lemmon, Kristian W Kaufmann, et al.
Journal of Computer-Aided Molecular Design|April 27, 2013
Substrate recognition by norovirus polymerase: microsecond molecular dynamics studyKamil Maláč, Ivan Barvík
Journal of Computer-Aided Molecular Design|May 4, 2013
Effect of pH and ligand charge state on BACE-1 fragment docking performanceJosé L Domínguez, M Carmen Villaverde, Fredy Sussman
Journal of Computer-Aided Molecular Design|February 7, 2013
QSAR model based on weighted MCS trees approach for the representation of molecule data setsBernardo Palacios-Bejarano, Gonzalo Cerruela García, Irene Luque Ruiz, et al.
Journal of Computer-Aided Molecular Design|January 29, 2013
Limiting assumptions in molecular modeling: electrostaticsGarland R Marshall
Journal of Computer-Aided Molecular Design|December 29, 2012
Oxygen-containing fragments in natural productsZoya Titarenko, Natalya Vasilevich, Vladimir Zernov, et al.
Journal of Computer-Aided Molecular Design|February 22, 2012
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavirParimal Kar, Volker Knecht
Journal of Computer-Aided Molecular Design|October 5, 2014
Structure-activity relationships of thiostrepton derivatives: implications for rational drug designAntje Wolf, Sebastian Schoof, Sascha Baumann, et al.
Journal of Computer-Aided Molecular Design|September 11, 2014
Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topologySameh Eid, Noureldin Saleh, Adam Zalewski, et al.
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