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Application

Discovery Studio 1.0 Materials Studio 0.48140495867768596 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03985507246376811 Amorphous Cell 0.17391304347826086 CASTEP 0.15217391304347827 CDOCKER 0.29347826086956524 CHARMm 0.47101449275362317 COMPASS 0.2028985507246377 COMPASS III 0.06521739130434782 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.007246376811594203 COSMOtherm 0.04710144927536232 Catalyst 0.12318840579710146 Classical Simulations 1.0 Crystallization 0.03260869565217391 DFTB Plus 0.0 DMol3 0.11594202898550725 Forcite 0.3695652173913043 GULP 0.010869565217391304 LUDI 0.007246376811594203 LibDock 0.10869565217391304 LigandFit 0.007246376811594203 MODELER 0.34057971014492755 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0 ONETEP 0.0036231884057971015 Polymorph 0.0 Quantum Mechanics 0.2753623188405797 Reflex 0.025362318840579712 Semi-empirical 0.0 Sorption 0.03985507246376811 Visualization 0.8623188405797102 X-Cell 0.0 ZDOCK 0.036231884057971016

Year

2024 0.0 2025 1.0 2026 0.30038022813688214

Keywords

development 1.0 target 0.9305993690851735 potential 0.39274447949526814 docking 0.2949526813880126 novel 0.2192429022082019 analysis 0.20504731861198738 promising 0.16876971608832808 visualization 0.16561514195583596 binding 0.10094637223974763 between 0.0946372239747634 therapeutic 0.061514195583596214 activity 0.05993690851735016 design 0.052050473186119876 effective 0.03785488958990536 including 0.033123028391167195 protein 0.033123028391167195 drug 0.01892744479495268 cell 0.015772870662460567 strong 0.014195583596214511 inhibition 0.012618296529968454 compound 0.00946372239747634 stability 0.00946372239747634 potent 0.00473186119873817 synthesis 0.0 treatment 0.0
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