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- 1200x628--JCIM CFP FreeEnergySI-NO-Deadline.png 1,200 × 628; 849 KB
- 2014 Vertex Mobley.pdf ; 10.44 MB
- 2016 Vertex.pdf ; 26.56 MB
- AMBER.tgz ; 15.54 MB
- Absolute n-phenylglicinonitrile T4 lysozyme cycle.pdf 1,343 × 1,044; 612 KB
- Acellera.png 839 × 199; 22 KB
- Acellera 500px.png 500 × 135; 21 KB
- Acellera TX logo 300.png 837 × 274; 32 KB
- Acs-comp.jpg 1,337 × 257; 204 KB
- Alchemistry.jpg 705 × 193; 28 KB
- Alkermes.png 1,801 × 460; 31 KB
- Amb2gmx.gz ; 8 KB
- Ambox notice.png 40 × 40; 3 KB
- Astex.png 111 × 81; 6 KB
- AstraZeneca 500px.png 500 × 136; 32 KB
- Automated-equilibration-detection.png 1,190 × 384; 38 KB
- BI.jpg 508 × 154; 41 KB
- Biki 500px.jpg 500 × 199; 572 KB
- Bind example.png 1,056 × 792; 69 KB
- Biogen.png 598 × 200; 19 KB
- Biovia.jpg 2,000 × 535; 136 KB
- Blackbox.png 610 × 636; 1 KB
- Bootstrap Comparison.png 949 × 731; 26 KB
- Boston FEC 051914 06 RonLevy.pptx ; 4.91 MB
- Both topologies.png 741 × 766; 163 KB
- CCG.png 1,930 × 761; 49 KB
- CCP.zip ; 29.48 MB
- Cmbox deletion.png 40 × 40; 2 KB
- Conference2023.jpeg 1,253 × 725; 315 KB
- Cp xvg.sh.zip ; 301 bytes
- Cresset.jpg 1,772 × 1,182; 32 KB
- Cresset Software Logo 500px.jpg 500 × 190; 68 KB
- DESMOND.tgz ; 63.87 MB
- DassaultSystemes.png 420 × 132; 24 KB
- Day1.png 489 × 838; 135 KB
- Day2.png 490 × 830; 144 KB
- Day2 2.png 784 × 1,214; 232 KB
- Doublearrow.png 120 × 67; 1 KB
- Doublearrowupdown.png 72 × 120; 1 KB
- Energy comparisons.tgz ; 194 KB
- Entasis Therapeutics 500px.jpg 500 × 143; 60 KB
- Ethanebox.png 654 × 685; 185 KB
- Ethanol.gro ; 182 KB
- Ethanol.mdp ; 5 KB
- Ethanol.png 260 × 313; 23 KB
- Ethanol.top ; 4 KB
- Ethanol in vac.png 610 × 636; 4 KB
- Ethanol in vac small.png 136 × 115; 3 KB
- Expanded.mdp ; 6 KB
- FKBP AMBER GAFF.tgz ; 5.29 MB
- FKBP desmond.tgz ; 11.08 MB
- GROMACS.tgz ; 29.06 MB
- Gelman-rubin-z-score.png 824 × 365; 15 KB
- Gelman-rubin.png 835 × 380; 18 KB
- Genetech-500px.jpg 500 × 150; 22 KB
- Hamiltonian-exchange-reduced-potential.png 1,205 × 378; 51 KB
- Helix-blue.jpeg 994 × 792; 64 KB
- Hindered-sidechain-torsion.png 1,361 × 114; 19 KB
- Holden.png 214 × 121; 27 KB
- Implicit color.png 350 × 318; 880 bytes
- InputFiles ABFE GMX2016.zip ; 922 KB
- JCIM CFP FreeEnergySI-v22.png 1,200 × 628; 424 KB
- Janssen-500px.png 500 × 259; 90 KB
- Jcim.jpg 800 × 242; 38 KB
- Laufer.png 220 × 34; 7 KB
- Ligandtranslate.png 216 × 71; 20 KB
- LillyLogo.jpg 1,391 × 981; 120 KB
- Linear LJ transformation.png 800 × 600; 41 KB
- Logo Acellera 1151A0.png 839 × 199; 22 KB
- Merck.png 601 × 96; 10 KB
- Minimal.tar.gz ; 14.75 MB
- Monday program.png 441 × 612; 70 KB
- Neale Vertex 2014.pptx ; 11.51 MB
- Novartis-logo.png 620 × 105; 25 KB
- Novartis.jpg 1,600 × 1,238; 445 KB
- Novartis site.jpeg 1,024 × 600; 101 KB
- Omsf.png 1,764 × 624; 53 KB
- OpenEye.png 181 × 81; 8 KB
- Openbiosim.png 835 × 169; 49 KB
- Openeye-logo-large-500px.jpg 500 × 210; 45 KB
- Openeye.png 1,539 × 348; 26 KB
- Pfizer.jpg 516 × 300; 95 KB
- Pfizer.png 126 × 78; 19 KB
- Phenol.png 340 × 302; 39 KB
- Playmolecule.png 963 × 701; 39 KB
- Plus sign.jpg 368 × 304; 2 KB
- Poster LaurentiuSpiridon.pdf ; 1.42 MB
- Psivant.jpg 2,048 × 538; 50 KB
- PyMBAR.tgz ; 66 KB
- PyMLWHAM.tgz ; 58 KB
- QuantumBio 500px.png 500 × 129; 28 KB
- README.pdf ; 77 KB
- Replica-round-trips.png 1,360 × 167; 55 KB
- Results ABFE GMX2016.zip ; 209 KB
- Results HREX ABFE GMX2016.zip ; 113 KB