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Application

Discovery Studio 0.9085990888382688 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06991591404546871 Amorphous Cell 0.28324509498598566 Blends 0.0027250077857365307 CASTEP 0.4197290563687325 CDOCKER 0.1617097477421364 CHARMm 0.24104640298972282 COMPASS 0.3807225163500467 COMPASS III 0.0747430706944877 COSMObase 0.0029585798816568047 COSMOconf 0.003347866708190595 COSMOmic 2.3357209592027406E-4 COSMOperm 0.0013235752102148863 COSMOplex 3.892868265337901E-4 COSMOquick 0.0014792899408284023 COSMOtherm 0.06493304266583619 Cantera 7.785736530675803E-5 Catalyst 0.11499532855808159 Classical Simulations 1.0 Conformers 0.0011678604796013703 Crystallization 0.07777950794145126 DFTB Plus 0.006150731859233883 DMol3 0.19409841170974773 DPD 0.003347866708190595 Discover 0.004982871379632514 Forcite 0.5446122703207723 GULP 0.028106508875739646 Kinetix 2.3357209592027406E-4 LUDI 0.004905014014325755 LibDock 0.06672376206789163 LigandFit 0.006462161320460916 MCSS 0.0011678604796013703 MODELER 0.17424478355652445 MesoDyn 0.0019464341326689504 Mesocite 0.004282155091871691 Mesoscale 0.00825288072251635 Modules 0.0 Morphology 0.018296480847088136 ONETEP 0.0011678604796013703 Polymorph 0.0019464341326689504 QMERA 3.892868265337901E-4 QSAR 0.0013235752102148863 Quantum Mechanics 0.6009810028028651 Reflex 0.05738087823108066 Reflex Plus 7.785736530675802E-4 Semi-empirical 0.008486452818436624 Sorption 0.056446589847399566 Synthia 0.0015571473061351605 TURBOMOLE 5.450015571473061E-4 VAMP 0.0017907194020554344 Visualization 0.8122080348800996 X-Cell 0.0012457178449081284 ZDOCK 0.02834008097165992

Year

2020 0.0030642619506216075 2021 0.11828051129399404 2022 0.2194887060059534 2023 0.4919453685869375 2024 0.9475573454736473 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.2562788659272494 docking 0.19718167413950038 visualization 0.19343963860701885 analysis 0.17560597377203924 between 0.15500792232747868 novel 0.09402285675757678 energy 0.08997741293867781 cell 0.06044567306071537 binding 0.060378248997067056 promising 0.04483700232613019 activity 0.04335367292586724 interaction 0.036105586083673265 experimental 0.031588173819236086 stability 0.028992347368775918 synthesized 0.02528402386811853 performance 0.023800694467855578 mechanism 0.018137073121397028 effective 0.015237838384519435 development 0.013889357111553114 protein 0.010012473451774938 including 0.008394295924215353 synthesis 0.008023463574149615 chemical 0.002494690354987695 design 0.0
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