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Application

Discovery Studio 0.7217139031466191 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08252063015753938 Amorphous Cell 0.25881470367591897 Blends 0.004876219054763691 CASTEP 0.614403600900225 CDOCKER 0.16691672918229558 CHARMm 0.2078019504876219 COMPASS 0.4392348087021755 COMPASS III 0.012003000750187547 COSMObase 3.7509377344336085E-4 COSMOconf 7.501875468867217E-4 COSMOmic 0.0 COSMOperm 0.0011252813203300824 COSMOplex 0.0 COSMOquick 0.0015003750937734434 COSMOtherm 0.0918979744936234 Catalyst 0.13953488372093023 Classical Simulations 1.0 Conformers 0.0018754688672168042 Crystallization 0.09227306826706677 DFTB Plus 0.008252063015753939 DMol3 0.31095273818454616 DPD 0.009752438109527382 Discover 0.02288072018004501 Forcite 0.4951237809452363 GULP 0.046511627906976744 LUDI 0.007126781695423856 LibDock 0.06751687921980495 LigandFit 0.007876969242310577 MCSS 0.002250562640660165 MODELER 0.08589647411852963 MesoDyn 0.0033758439609902473 Mesocite 0.010502625656414103 Mesoscale 0.019879969992498126 Morphology 0.023255813953488372 ONETEP 0.00450112528132033 Polymorph 0.0033758439609902473 QMERA 3.7509377344336085E-4 QSAR 0.004126031507876969 Quantum Mechanics 0.9111027756939235 Reflex 0.06564141035258815 Reflex Plus 0.0018754688672168042 Semi-empirical 0.015003750937734433 Sorption 0.047636909227306824 Synthia 7.501875468867217E-4 TURBOMOLE 0.0011252813203300824 VAMP 0.005626406601650412 Visualization 0.8810952738184546 X-Cell 0.0 ZDOCK 0.03338334583645911

Year

2022 0.0

Keywords

target 1.0 visualization 0.18383977900552487 between 0.16422651933701657 potential 0.1531767955801105 docking 0.14751381215469614 analysis 0.10897790055248618 energy 0.10165745856353592 experimental 0.07140883977900553 novel 0.06560773480662983 interaction 0.047375690607734805 cell 0.04267955801104972 activity 0.036740331491712706 binding 0.036464088397790057 well 0.029696132596685083 chemical 0.027209944751381214 synthesized 0.02527624309392265 surface 0.022651933701657457 mechanism 0.021408839779005526 synthesis 0.012569060773480663 higher 0.009116022099447514 adsorption 0.006491712707182321 design 0.005110497237569061 stability 0.005110497237569061 promising 0.0026243093922651934 protein 0.0
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