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Application

Discovery Studio 1.0 Materials Studio 0.9583240348136577 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06688291628050665 Amorphous Cell 0.27579548965091133 Blends 0.002471424158171146 CASTEP 0.4085573061476676 CDOCKER 0.18025949953660797 CHARMm 0.2632066728452271 COMPASS 0.36963237565647206 COMPASS III 0.07421995675007723 COSMObase 0.002934816187828236 COSMOconf 0.0033209762125424778 COSMOmic 2.3169601482854495E-4 COSMOperm 0.0013129440840284213 COSMOplex 3.0892801977139327E-4 COSMOquick 0.0013901760889712697 COSMOtherm 0.06302131603336422 Cantera 7.723200494284832E-5 Catalyst 0.12527031201729996 Classical Simulations 1.0 Conformers 0.0011584800741427247 Crystallization 0.07530120481927711 DFTB Plus 0.005869632375656472 DMol3 0.1860518999073216 DPD 0.0030120481927710845 Discover 0.004711152301513748 Forcite 0.5299660179178252 GULP 0.02602718566573988 Kinetix 2.3169601482854495E-4 LUDI 0.005869632375656472 LibDock 0.07244362063639172 LigandFit 0.007645968489341983 MCSS 0.0013901760889712697 MODELER 0.19269385233240655 MesoDyn 0.001699104108742663 Mesocite 0.004093296261970961 Mesoscale 0.007723200494284831 Modules 0.0 Morphology 0.01784059314179796 ONETEP 9.267840593141798E-4 Polymorph 0.002008032128514056 QMERA 2.3169601482854495E-4 QSAR 0.0013129440840284213 Quantum Mechanics 0.5818659252394193 Reflex 0.05506641952425085 Reflex Plus 6.950880444856349E-4 Semi-empirical 0.007954896509113376 Sorption 0.053985171455050975 Synthia 0.0013901760889712697 TURBOMOLE 5.406240345999382E-4 VAMP 0.001699104108742663 Visualization 0.8959684893419834 X-Cell 0.0011584800741427247 ZDOCK 0.030892801977139325

Year

2020 0.020049028191209947 2021 0.18586937489056207 2022 0.3005603221852565 2023 0.42181754508842584 2024 0.9865172474172649 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.2624785688868761 docking 0.21867822598906608 visualization 0.21534629443923267 analysis 0.17950376864102482 between 0.14922524504253873 novel 0.09973150454501342 energy 0.07983696179600815 binding 0.0706498883964675 cell 0.05654578979717271 activity 0.05263157894736842 promising 0.04270048199786498 interaction 0.03881861999805907 synthesized 0.02794940639860253 experimental 0.026752498948662374 stability 0.025005661048749718 protein 0.02012098469899395 mechanism 0.016497913499175103 effective 0.01555979684922201 development 0.0146540290492673 performance 0.013424772749328762 synthesis 0.012486656099375668 including 0.007634328599618284 chemical 7.116746999644162E-4 design 0.0
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