| Year |
Citation |
Score |
| 2021 |
Voice AT, Tresadern G, Twidale RM, van Vlijmen H, Mulholland AJ. Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations. Chemical Science. 12: 5511-5516. PMID 33995994 DOI: 10.1039/d0sc06122k |
0.478 |
|
| 2020 |
Burggraaff L, van Veen A, Lam CC, Van Vlijmen H, IJzerman AP, van Westen GJP. Annotation of Allosteric Compounds to Enhance Bioactivity Modeling for Class A GPCRs. Journal of Chemical Information and Modeling. PMID 32931270 DOI: 10.1021/acs.jcim.0c00695 |
0.518 |
|
| 2020 |
Goossens K, Wroblowski B, Langini C, van Vlijmen H, Caflisch A, De Winter H. Assessment of the Fragment Docking Program SEED. Journal of Chemical Information and Modeling. PMID 32820916 DOI: 10.1021/Acs.Jcim.0C00556 |
0.472 |
|
| 2020 |
Burggraaff L, Lenselink EB, Jespers W, van Engelen J, Bongers BJ, Gorostiola González M, Liu R, Hoos HH, Van Vlijmen H, IJzerman AP, van Westen GJP. Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase Inhibitors. Journal of Chemical Information and Modeling. PMID 32343143 DOI: 10.1021/acs.jcim.9b01204 |
0.474 |
|
| 2019 |
Voice A, Tresadern G, Van Vlijmen H, Mulholland AJ. Limitations of ligand-only approaches for predicting the reactivity of covalent inhibitors. Journal of Chemical Information and Modeling. PMID 31498988 DOI: 10.1021/Acs.Jcim.9B00404 |
0.548 |
|
| 2016 |
Lenselink EB, Beuming T, van Veen C, Massink A, Sherman W, van Vlijmen HW, IJzerman AP. In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor. Journal of Computer-Aided Molecular Design. PMID 27629350 DOI: 10.1007/S10822-016-9963-7 |
0.548 |
|
| 2016 |
Lenselink EB, Jespers W, van Vlijmen HW, IJzerman AP, van Westen GJ. Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening. Journal of Chemical Information and Modeling. 56: 2053-2060. PMID 27626908 DOI: 10.1021/acs.jcim.6b00314 |
0.736 |
|
| 2014 |
Lenselink EB, Beuming T, Sherman W, van Vlijmen HW, IJzerman AP. Selecting an optimal number of binding site waters to improve virtual screening enrichments against the adenosine A2A receptor. Journal of Chemical Information and Modeling. 54: 1737-46. PMID 24835542 DOI: 10.1021/Ci5000455 |
0.45 |
|
| 2013 |
van Westen GJ, Swier RF, Cortes-Ciriano I, Wegner JK, Overington JP, Ijzerman AP, van Vlijmen HW, Bender A. Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. Journal of Cheminformatics. 5: 42. PMID 24059743 DOI: 10.1186/1758-2946-5-42 |
0.741 |
|
| 2013 |
van Westen GJ, Swier RF, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets. Journal of Cheminformatics. 5: 41. PMID 24059694 DOI: 10.1186/1758-2946-5-41 |
0.736 |
|
| 2013 |
van Westen GJ, Hendriks A, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data. Plos Computational Biology. 9: e1002899. PMID 23436985 DOI: 10.1371/Journal.Pcbi.1002899 |
0.742 |
|
| 2012 |
van Westen GJ, van den Hoven OO, van der Pijl R, Mulder-Krieger T, de Vries H, Wegner JK, Ijzerman AP, van Vlijmen HW, Bender A. Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. Journal of Medicinal Chemistry. 55: 7010-20. PMID 22827545 DOI: 10.1021/Jm3003069 |
0.746 |
|
| 2011 |
van Westen GJ, Wegner JK, Geluykens P, Kwanten L, Vereycken I, Peeters A, Ijzerman AP, van Vlijmen HW, Bender A. Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development. Plos One. 6: e27518. PMID 22132107 DOI: 10.1371/Journal.Pone.0027518 |
0.748 |
|
| 2011 |
van der Horst E, Peironcely JE, van Westen GJ, van den Hoven OO, Galloway WR, Spring DR, Wegner JK, van Vlijmen HW, Ijzerman AP, Overington JP, Bender A. Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space. Current Topics in Medicinal Chemistry. 11: 1964-77. PMID 21470175 DOI: 10.2174/156802611796391230 |
0.731 |
|
| 2010 |
van der Horst E, Peironcely JE, Ijzerman AP, Beukers MW, Lane JR, van Vlijmen HW, Emmerich MT, Okuno Y, Bender A. A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization. Bmc Bioinformatics. 11: 316. PMID 20537162 DOI: 10.1186/1471-2105-11-316 |
0.608 |
|
| 2010 |
van Westen GJ, Wegner JK, Bender A, Ijzerman AP, van Vlijmen HW. Mining protein dynamics from sets of crystal structures using "consensus structures". Protein Science : a Publication of the Protein Society. 19: 742-52. PMID 20120021 DOI: 10.1002/Pro.350 |
0.743 |
|
| 2005 |
van Vlijmen HW, Karplus M. Normal mode calculations of icosahedral viruses with full dihedral flexibility by use of molecular symmetry. Journal of Molecular Biology. 350: 528-42. PMID 15922356 DOI: 10.1016/J.Jmb.2005.03.028 |
0.345 |
|
| 1998 |
van Vlijmen HW, Schaefer M, Karplus M. Improving the accuracy of protein pKa calculations: conformational averaging versus the average structure. Proteins. 33: 145-58. PMID 9779784 DOI: 10.1002/(Sici)1097-0134(19981101)33:2<145::Aid-Prot1>3.0.Co;2-I |
0.406 |
|
| 1998 |
van Vlijmen HW, Curry S, Schaefer M, Karplus M. Titration calculations of foot-and-mouth disease virus capsids and their stabilities as a function of pH. Journal of Molecular Biology. 275: 295-308. PMID 9466910 DOI: 10.1006/Jmbi.1997.1418 |
0.351 |
|
| 1997 |
van Vlijmen HW, Karplus M. PDB-based protein loop prediction: parameters for selection and methods for optimization. Journal of Molecular Biology. 267: 975-1001. PMID 9135125 DOI: 10.1006/Jmbi.1996.0857 |
0.424 |
|
| 1996 |
Sali A, Potterton L, Yuan F, van Vlijmen H, Karplus M. Evaluation of comparative protein modeling by MODELLER. Proteins. 23: 318-26. PMID 8710825 DOI: 10.1002/Prot.340230306 |
0.583 |
|
| 1990 |
Van Vlijmen HW, Ramé GL, Pettitt BM. A study of model energetics and conformational properties of polynucleotide triplexes. Biopolymers. 30: 517-32. PMID 2265226 DOI: 10.1002/bip.360300505 |
0.604 |
|
| 1989 |
van Vlijmen HW, IJzerman AP. Molecular modeling of a putative antagonist binding site on helix III of the beta-adrenoceptor. Journal of Computer-Aided Molecular Design. 3: 165-74. PMID 2570825 DOI: 10.1007/Bf01557726 |
0.441 |
|
| 1988 |
IJzerman AP, van Vlijmen HW. A molecular graphics study exploring a putative ligand binding site of the beta-adrenoceptor. Journal of Computer-Aided Molecular Design. 2: 43-53. PMID 2848931 DOI: 10.1007/BF01532052 |
0.49 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2019 |
Gapsys V, Pérez-Benito L, Aldeghi M, Seeliger D, van Vlijmen H, Tresadern G, de Groot BL. Large scale relative protein ligand binding affinities using non-equilibrium alchemy. Chemical Science. 11: 1140-1152. PMID 34084371 DOI: 10.1039/c9sc03754c |
0.297 |
|
| 2018 |
Pérez-Benito L, Keränen H, van Vlijmen H, Tresadern G. Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation. Scientific Reports. 8: 4883. PMID 29559702 DOI: 10.1038/s41598-018-23039-5 |
0.293 |
|
| 1998 |
Schaefer M, van Vlijmen HW, Karplus M. Electrostatic contributions to molecular free energies in solution. Advances in Protein Chemistry. 51: 1-57. PMID 9615168 DOI: 10.1016/S0065-3233(08)60650-6 |
0.292 |
|
| 2020 |
Wright DW, Husseini F, Wan S, Meyer C, van Vlijmen H, Tresadern G, Coveney PV. Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand Dataset. Advanced Theory and Simulations. 3: 1900194. PMID 34553124 DOI: 10.1002/adts.201900194 |
0.277 |
|
| 2021 |
De Vocht T, Buyck C, Deferm N, Qi B, Van Brantegem P, van Vlijmen H, Snoeys J, Hoeben E, Vermeulen A, Annaert P. Identification of novel inhibitors of rat Mrp3. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. 105813. PMID 33753214 DOI: 10.1016/j.ejps.2021.105813 |
0.274 |
|
| 2019 |
Wright DW, Wan S, Meyer C, van Vlijmen H, Tresadern G, Coveney PV. Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4. Scientific Reports. 9: 6017. PMID 30979914 DOI: 10.1038/s41598-019-41758-1 |
0.272 |
|
| 2002 |
Singh J, van Vlijmen H, Lee WC, Liao Y, Lin KC, Ateeq H, Cuervo J, Zimmerman C, Hammond C, Karpusas M, Palmer R, Chattopadhyay T, Adams SP. 3D QSAR (COMFA) of a series of potent and highly selective VLA-4 antagonists. Journal of Computer-Aided Molecular Design. 16: 201-11. PMID 12363218 |
0.261 |
|
| 2022 |
Wan S, Bhati AP, Wright DW, Wade AD, Tresadern G, van Vlijmen H, Coveney PV. The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinase. Scientific Reports. 12: 10433. PMID 35729177 DOI: 10.1038/s41598-022-13319-6 |
0.255 |
|
| 2006 |
Clark LA, Boriack-Sjodin PA, Eldredge J, Fitch C, Friedman B, Hanf KJ, Jarpe M, Liparoto SF, Li Y, Lugovskoy A, Miller S, Rushe M, Sherman W, Simon K, Van Vlijmen H. Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design. Protein Science : a Publication of the Protein Society. 15: 949-60. PMID 16597831 DOI: 10.1110/Ps.052030506 |
0.254 |
|
| 2019 |
Pérez-Benito L, Casajuana-Martin N, Jiménez-Rosés M, van Vlijmen H, Tresadern G. Predicting Activity Cliffs with Free-Energy Perturbation. Journal of Chemical Theory and Computation. 15: 1884-1895. PMID 30776226 DOI: 10.1021/acs.jctc.8b01290 |
0.252 |
|
| 2004 |
van Vlijmen HW, Gupta A, Narasimhan LS, Singh J. A novel database of disulfide patterns and its application to the discovery of distantly related homologs. Journal of Molecular Biology. 335: 1083-92. PMID 14698301 |
0.246 |
|
| 2010 |
Roymans D, De Bondt HL, Arnoult E, Geluykens P, Gevers T, Van Ginderen M, Verheyen N, Kim H, Willebrords R, Bonfanti JF, Bruinzeel W, Cummings MD, van Vlijmen H, Andries K. Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein. Proceedings of the National Academy of Sciences of the United States of America. 107: 308-13. PMID 19966279 DOI: 10.1073/pnas.0910108106 |
0.246 |
|
| 2002 |
Singh J, Van Vlijmen H, Liao Y, Lee WC, Cornebise M, Harris M, Shu IH, Gill A, Cuervo JH, Abraham WM, Adams SP. Identification of potent and novel alpha4beta1 antagonists using in silico screening. Journal of Medicinal Chemistry. 45: 2988-93. PMID 12086484 DOI: 10.1021/jm020054e |
0.24 |
|
| 2023 |
Vlachodimou A, Bouma J, De Cleyn M, Berthelot D, Pype S, Bosmans JP, van Vlijmen H, Wroblowski B, Heitman LH, IJzerman AP. Kinetic profiling of novel spirobenzo-oxazinepiperidinone derivatives as equilibrative nucleoside transporter 1 inhibitors. Purinergic Signalling. PMID 37423967 DOI: 10.1007/s11302-023-09948-9 |
0.229 |
|
| 2011 |
Moors SL, Vos AM, Cummings MD, Van Vlijmen H, Ceulemans A. Structure-based site of metabolism prediction for cytochrome P450 2D6. Journal of Medicinal Chemistry. 54: 6098-105. PMID 21797232 DOI: 10.1021/jm2006468 |
0.228 |
|
| 2013 |
Van der Borght K, Verheyen A, Feyaerts M, Van Wesenbeeck L, Verlinden Y, Van Craenenbroeck E, van Vlijmen H. Quantitative prediction of integrase inhibitor resistance from genotype through consensus linear regression modeling. Virology Journal. 10: 8. PMID 23282253 DOI: 10.1186/1743-422X-10-8 |
0.226 |
|
| 2021 |
van Vlijmen H, Ortholand JY, Li VM, de Vlieger JSB. The European Lead Factory: An updated HTS compound library for innovative drug discovery. Drug Discovery Today. 26: 2406-2413. PMID 33892142 DOI: 10.1016/j.drudis.2021.04.019 |
0.226 |
|
| 2002 |
Schneider P, Olson D, Tardivel A, Browning B, Lugovskoy A, Gong D, Dobles M, Hertig S, Hofmann K, Van Vlijmen H, Hsu YM, Burkly LC, Tschopp J, Zheng TS. Identification of a new murine tumor necrosis factor receptor locus that contains two novel murine receptors for tumor necrosis factor-related apoptosis-inducing ligand (TRAIL). The Journal of Biological Chemistry. 278: 5444-54. PMID 12466268 DOI: 10.1074/Jbc.M210783200 |
0.225 |
|
| 2008 |
Lin EY, Guckian KM, Silvian L, Chin D, Boriack-Sjodin PA, van Vlijmen H, Friedman JE, Scott DM. Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors. Bioorganic & Medicinal Chemistry Letters. 18: 5245-8. PMID 18783948 DOI: 10.1016/j.bmcl.2008.08.062 |
0.223 |
|
| 2008 |
Clark LA, van Vlijmen HW. A knowledge-based forcefield for protein-protein interface design. Proteins. 70: 1540-50. PMID 17910054 DOI: 10.1002/Prot.21694 |
0.222 |
|
| 2022 |
Tresadern G, Tatikola K, Cabrera J, Wang L, Abel R, van Vlijmen H, Geys H. The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions. Journal of Chemical Information and Modeling. PMID 35061383 DOI: 10.1021/acs.jcim.1c01214 |
0.215 |
|
| 2011 |
Van der Borght K, Van Craenenbroeck E, Lecocq P, Van Houtte M, Van Kerckhove B, Bacheler L, Verbeke G, van Vlijmen H. Cross-validated stepwise regression for identification of novel non-nucleoside reverse transcriptase inhibitor resistance associated mutations. Bmc Bioinformatics. 12: 386. PMID 21966893 DOI: 10.1186/1471-2105-12-386 |
0.213 |
|
| 2014 |
Van der Borght K, Verbeke G, van Vlijmen H. Multi-model inference using mixed effects from a linear regression based genetic algorithm. Bmc Bioinformatics. 15: 88. PMID 24669828 DOI: 10.1186/1471-2105-15-88 |
0.209 |
|
| 2009 |
Altmann A, Sing T, Vermeiren H, Winters B, Van Craenenbroeck E, Van der Borght K, Rhee SY, Shafer RW, Schülter E, Kaiser R, Peres Y, Sönnerborg A, Fessel WJ, Incardona F, Zazzi M, ... ... Van Vlijmen H, et al. Advantages of predicted phenotypes and statistical learning models in inferring virological response to antiretroviral therapy from HIV genotype Antiviral Therapy. 14: 273-283. PMID 19430102 |
0.207 |
|
| 2023 |
Papadourakis M, Sinenka H, Matricon P, Hénin J, Brannigan G, Pérez-Benito L, Pande V, van Vlijmen H, de Graaf C, Deflorian F, Tresadern G, Cecchini M, Cournia Z. Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of Chemical Theory and Computation. 19: 7437-7458. PMID 37902715 DOI: 10.1021/acs.jctc.3c00365 |
0.204 |
|
| 2015 |
Jacoby E, Tresadern G, Bembenek S, Wroblowski B, Buyck C, Neefs JM, Rassokhin D, Poncelet A, Hunt J, van Vlijmen H. Extending kinome coverage by analysis of kinase inhibitor broad profiling data. Drug Discovery Today. 20: 652-8. PMID 25596550 DOI: 10.1016/j.drudis.2015.01.002 |
0.204 |
|
| 2019 |
Wan S, Tresadern G, Pérez-Benito L, van Vlijmen H, Coveney PV. Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-Exchange. Advanced Theory and Simulations. 3: 1900195. PMID 34527855 DOI: 10.1002/adts.201900195 |
0.196 |
|
| 2003 |
Foley SF, van Vlijmen HW, Boynton RE, Adkins HB, Cheung AE, Singh J, Sanicola M, Young CN, Wen D. The CRIPTO/FRL-1/CRYPTIC (CFC) domain of human Cripto. Functional and structural insights through disulfide structure analysis. European Journal of Biochemistry / Febs. 270: 3610-8. PMID 12919325 DOI: 10.1046/j.1432-1033.2003.03749.x |
0.191 |
|
| 2014 |
Clark LA, Demarest SJ, Eldredge J, Jarpe MB, Li Y, Simon K, van Vlijmen HW. Influence of canonical structure determining residues on antibody affinity and stability. Journal of Structural Biology. 185: 223-7. PMID 23994046 DOI: 10.1016/J.Jsb.2013.08.009 |
0.187 |
|
| 2004 |
Gupta A, Van Vlijmen HW, Singh J. A classification of disulfide patterns and its relationship to protein structure and function. Protein Science : a Publication of the Protein Society. 13: 2045-58. PMID 15273305 DOI: 10.1110/ps.04613004 |
0.172 |
|
| 2009 |
Clark LA, Boriack-Sjodin PA, Day E, Eldredge J, Fitch C, Jarpe M, Miller S, Li Y, Simon K, van Vlijmen HW. An antibody loop replacement design feasibility study and a loop-swapped dimer structure. Protein Engineering, Design & Selection : Peds. 22: 93-101. PMID 19074157 DOI: 10.1093/Protein/Gzn072 |
0.167 |
|
| 2006 |
Reid C, Rushe M, Jarpe M, van Vlijmen H, Dolinski B, Qian F, Cachero TG, Cuervo H, Yanachkova M, Nwankwo C, Wang X, Etienne N, Garber E, Bailly V, de Fougerolles A, et al. Structure activity relationships of monocyte chemoattractant proteins in complex with a blocking antibody. Protein Engineering, Design & Selection : Peds. 19: 317-24. PMID 16682434 DOI: 10.1093/protein/gzl015 |
0.166 |
|
| 2017 |
Keränen H, Pérez-Benito L, Ciordia M, Delgado F, Steinbrecher TB, Oehlrich D, Van Vlijmen HW, Trabanco AA, Tresadern G. Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study. Journal of Chemical Theory and Computation. PMID 28103438 DOI: 10.1021/acs.jctc.6b01141 |
0.165 |
|
| 2004 |
Peng H, Kumaravel G, Yao G, Sha L, Wang J, Van Vlijmen H, Bohnert T, Huang C, Vu CB, Ensinger CL, Chang H, Engber TM, Whalley ET, Petter RC. Novel bicyclic piperazine derivatives of triazolotriazine and triazolopyrimidines as highly potent and selective adenosine A2A receptor antagonists. Journal of Medicinal Chemistry. 47: 6218-29. PMID 15566292 DOI: 10.1021/jm0494321 |
0.164 |
|
| 2006 |
Clark LA, Ganesan S, Papp S, van Vlijmen HW. Trends in antibody sequence changes during the somatic hypermutation process. Journal of Immunology (Baltimore, Md. : 1950). 177: 333-40. PMID 16785529 DOI: 10.4049/Jimmunol.177.1.333 |
0.164 |
|
| 2018 |
Schlessinger A, Welch MA, van Vlijmen H, Korzekwa K, Swaan PW, Matsson P. Molecular Modeling of Drug-Transporter Interactions-an International Transporter Consortium Perspective. Clinical Pharmacology and Therapeutics. PMID 29981151 DOI: 10.1002/Cpt.1174 |
0.162 |
|
| 2014 |
Hanf KJ, Arndt JW, Chen LL, Jarpe M, Boriack-Sjodin PA, Li Y, van Vlijmen HW, Pepinsky RB, Simon KJ, Lugovskoy A. Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework. Methods (San Diego, Calif.). 65: 68-76. PMID 23816785 DOI: 10.1016/J.Ymeth.2013.06.024 |
0.16 |
|
| 1998 |
Singh J, Garber E, Van Vlijmen H, Karpusas M, Hsu YM, Zheng Z, Naismith JH, Thomas D. The role of polar interactions in the molecular recognition of CD40L with its receptor CD40 Protein Science. 7: 1124-1135. PMID 9605317 DOI: 10.1002/Pro.5560070506 |
0.16 |
|
| 2023 |
Yu X, Abeywickrema P, Bonneux B, Behera I, Anson B, Jacoby E, Fung A, Adhikary S, Bhaumik A, Carbajo RJ, De Bruyn S, Miller R, Patrick A, Pham Q, Piassek M, ... ... Van Vlijmen H, et al. Structural and mechanistic insights into the inhibition of respiratory syncytial virus polymerase by a non-nucleoside inhibitor. Communications Biology. 6: 1074. PMID 37865687 DOI: 10.1038/s42003-023-05451-4 |
0.155 |
|
| 2016 |
Sherborne B, Shanmugasundaram V, Cheng AC, Christ CD, DesJarlais RL, Duca JS, Lewis RA, Loughney DA, Manas ES, McGaughey GB, Peishoff CE, van Vlijmen H. Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. Journal of Computer-Aided Molecular Design. PMID 28013427 DOI: 10.1007/S10822-016-9996-Y |
0.147 |
|
| 2003 |
Belville C, Van Vlijmen H, Ehrenfels C, Pepinsky B, Rezaie AR, Picard JY, Josso N, di Clemente N, Cate RL. Mutations of the anti-mullerian hormone gene in patients with persistent mullerian duct syndrome: biosynthesis, secretion, and processing of the abnormal proteins and analysis using a three-dimensional model. Molecular Endocrinology (Baltimore, Md.). 18: 708-21. PMID 14673134 DOI: 10.1210/ME.2003-0358 |
0.141 |
|
| 2017 |
Jacoby E, Wroblowski B, Buyck C, Neefs JM, Meyer C, Cummings MD, van Vlijmen H. Protocols for the Design of Kinase-Focused Compound Libraries. Molecular Informatics. PMID 29116686 DOI: 10.1002/minf.201700119 |
0.139 |
|
| 2016 |
van Vlijmen H, Desjarlais RL, Mirzadegan T. Computational chemistry at Janssen. Journal of Computer-Aided Molecular Design. PMID 27995515 DOI: 10.1007/s10822-016-9998-9 |
0.133 |
|
| 2023 |
Rocca-Serra P, Gu W, Ioannidis V, Abbassi-Daloii T, Capella-Gutierrez S, Chandramouliswaran I, Splendiani A, Burdett T, Giessmann RT, Henderson D, Batista D, Emam I, Gadiya Y, Giovanni L, Willighagen E, ... ... van Vlijmen H, et al. The FAIR Cookbook - the essential resource for and by FAIR doers. Scientific Data. 10: 292. PMID 37208467 DOI: 10.1038/s41597-023-02166-3 |
0.127 |
|
| 2022 |
van Vlijmen H, Ortholand JY, Li VM, de Vlieger JSB. Corrigendum to "The European Lead Factory: An updated HTS compound library for innovative drug discovery" [Drug Discov. Today 26(10) (2021) 2406-2413]. Drug Discovery Today. PMID 35398021 DOI: 10.1016/j.drudis.2022.04.005 |
0.127 |
|
| 2021 |
Jones PS, Boucharens S, McElroy SP, Morrison A, Honarnejad S, van Boeckel S, van den Hurk H, Basting D, Hüser J, Jaroch S, Ottow E, Benningshof J, Folmer RHA, Leemhuis F, Kramer-Verhulst PM, ... ... van Vlijmen H, et al. IMI European Lead Factory - democratizing access to high-throughput screening. Nature Reviews. Drug Discovery. PMID 34907316 DOI: 10.1038/d41573-021-00196-3 |
0.118 |
|
| 2015 |
Paillard G, Cochrane P, Jones PS, Caracoti A, van Vlijmen H, Pannifer AD. The ELF Honest Data Broker: informatics enabling public-private collaboration in a precompetitive arena. Drug Discovery Today. PMID 26608890 DOI: 10.1016/j.drudis.2015.11.005 |
0.09 |
|
| 2015 |
Van der Borght K, Thys K, Wetzels Y, Clement L, Verbist B, Reumers J, van Vlijmen H, Aerssens J. QQ-SNV: single nucleotide variant detection at low frequency by comparing the quality quantiles. Bmc Bioinformatics. 16: 379. PMID 26554718 DOI: 10.1186/s12859-015-0812-9 |
0.054 |
|
| Hide low-probability matches. |
