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Application

Discovery Studio 1.0 Materials Studio 0.2080536912751678 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03075030750307503 Amorphous Cell 0.11439114391143912 CASTEP 0.0910209102091021 CDOCKER 0.2742927429274293 CHARMm 0.43296432964329645 COMPASS 0.14268142681426815 COMPASS III 0.025830258302583026 COSMObase 0.0024600246002460025 COSMOconf 0.0024600246002460025 COSMOtherm 0.02706027060270603 Catalyst 0.11808118081180811 Classical Simulations 0.7232472324723247 Crystallization 0.038130381303813035 DFTB Plus 0.0024600246002460025 DMol3 0.04428044280442804 DPD 0.0036900369003690036 Discover 0.0012300123001230013 Forcite 0.21894218942189422 GULP 0.004920049200492005 LUDI 0.004920049200492005 LibDock 0.10824108241082411 LigandFit 0.0036900369003690036 MODELER 0.41205412054120544 Mesoscale 0.0036900369003690036 Morphology 0.01107011070110701 QSAR 0.0 Quantum Mechanics 0.13284132841328414 Reflex 0.024600246002460024 Reflex Plus 0.0 Semi-empirical 0.0024600246002460025 Sorption 0.017220172201722016 Visualization 1.0 X-Cell 0.0012300123001230013 ZDOCK 0.03936039360393604

Year

2025 0.0

Keywords

target 1.0 docking 0.4367674275138803 potential 0.4268969771745836 visualization 0.29426280074028377 analysis 0.2825416409623689 binding 0.18568784700801974 activity 0.13201727328809376 novel 0.11042566317088218 promising 0.10055521283158544 between 0.07772979642196175 protein 0.07402837754472548 therapeutic 0.0715607649599013 inhibition 0.05058605798889575 silico 0.05058605798889575 including 0.04688463911165947 vitro 0.040098704503392965 compound 0.03454657618753856 treatment 0.027143738433066007 development 0.02282541640962369 synthesis 0.015422578655151141 stability 0.010487353485502776 interaction 0.00863664404688464 cell 0.006169031462060457 strong 0.0024676125848241827 drug 0.0
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