Showing results (731-740 of 2,625) with videos related to
Sort By:
Pageof 263
Journal of Computer-Aided Molecular Design|January 21, 2022
Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case studyLubabah A Mousa, Ma'mon M Hatmal, Mutasem TahaJournal of Computer-Aided Molecular Design|October 31, 2022
From oncoproteins to spike proteins: the evaluation of intramolecular stability using hydropathic force fieldFederica Agosta, Glen E Kellogg, Pietro CozziniJournal of Computer-Aided Molecular Design|October 28, 2022
Physicochemical QSAR analysis of hERG inhibition revisited: towards a quantitative potency predictionKiril Lanevskij, Remigijus Didziapetris, Andrius SazonovasJournal of Computer-Aided Molecular Design|September 2, 2025
Structure-based design of alicyclic fused pyrazole derivatives for targeting TGF-β receptor I kinase: molecular docking and dynamics insightsNatarajan Saravanakumar, Arunagiri Sivanesan Aruna Poorani, Ganesapandian Latha, et al.Journal of Computer-Aided Molecular Design|September 2, 2025
Comprehensive analysis of beta-lactamase genes in clinical strains of Escherichia coli and Klebsiella pneumoniae: molecular characterization, and in Silico predictionsC K V Ramesan, Gangaraj Karyath Palliyath, M V Sneha, et al.Journal of Computer-Aided Molecular Design|September 4, 2025
Protein A-like peptide generation based on generalized diffusion modelTianqian Zhou, Shibo Zhang, Huijia Song, et al.Journal of Computer-Aided Molecular Design|July 20, 2016
Binding of carboxylate and trimethylammonium salts to octa-acid and TEMOA deep-cavity cavitandsMatthew R Sullivan, Punidha Sokkalingam, Thong Nguyen, et al.Journal of Computer-Aided Molecular Design|July 25, 2016
Extended solvent-contact model approach to blind SAMPL5 prediction challenge for the distribution coefficients of drug-like moleculesKee-Choo Chung, Hwangseo ParkJournal of Computer-Aided Molecular Design|July 11, 2015
Automated computational screening of the thiol reactivity of substituted alkenesJennifer M Smith, Christopher N RowleyJournal of Computer-Aided Molecular Design|May 24, 2021
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challengesLorenzo Casbarra, Piero ProcacciPageof 263