المؤلفون: Ries, Benjamin, Alibay, Irfan, Henry, Michael M., Swenson, David W. H., David Dotson, Gowers, Richard J.

المصدر: Workshop on Free Energy Methods in Drug Design, Boston, 2023

مصطلحات موضوعية: Free Energy Calculations, Atom Mappings, Cheminformatics, Computational Chemistry

Relation: https://zenodo.org/communities/openfreeenergy; https://doi.org/10.5281/zenodo.8252913; https://doi.org/10.5281/zenodo.8252914; oai:zenodo.org:8252914

الاتاحة: https://doi.org/10.5281/zenodo.8252914

المؤلفون: Ries, Benjamin, Gowers, Richard J., Baumann, Hannah M., Swenson, David W. H., Henry, Michael M., Eastwood, James R. B., Alibay, Irfan, Mobley, David

المصدر: Journal of Chemical Information & Modeling; 11/25/2024, Vol. 64 Issue 22, p8396-8403, 8p

المؤلفون: Roet, Sander, Hooft, Ferry, Bolhuis, Peter G., Swenson, David W. H., Vreede, Jocelyne

المساهمون: H2020 Research Infrastructures

المصدر: The Journal of Physical Chemistry B ; volume 126, issue 48, page 10034-10044 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.2c06235
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c06235

المؤلفون: Li, Bin, Levy, Tal J., Swenson, David W. H., Rabani, Eran, Miller, William H.

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1212.2407

المؤلفون: Swenson, David W. H., Levy, Tal, Cohen, Guy, Rabani, Eran, Miller, William H.

مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Other Condensed Matter, Quantum Physics

URL الوصول: http://arxiv.org/abs/1103.4405

المؤلفون: Bolhuis, Peter G., Swenson, David W. H.

المساهمون: Horizon 2020 Framework Programme

المصدر: Advanced Theory and Simulations ; volume 4, issue 4 ; ISSN 2513-0390 2513-0390

الاتاحة: http://dx.doi.org/10.1002/adts.202000237
https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202000237
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/adts.202000237

المؤلفون: Baumann, Hannah M., Alibay, Irfan, Ries, Benjamin, Swenson, David W. H., Henry, Michael M., Eastwood, James R. B., Gowers, Richard J.

Relation: https://doi.org/10.5281/zenodo.10986443; https://doi.org/10.5281/zenodo.10986444; oai:zenodo.org:10986444

الاتاحة: https://doi.org/10.5281/zenodo.10986444

المؤلفون: Baumann, Hannah M., Henry, Michael M., Ries, Benjamin, Swenson, David W. H., Eastwood, James R. B., Gowers, Richard J., Alibay, Irfan

Relation: https://doi.org/10.5281/zenodo.13950603; https://doi.org/10.5281/zenodo.13959654; oai:zenodo.org:13959654

الاتاحة: https://doi.org/10.5281/zenodo.13959654

المؤلفون: Ries, Benjamin, Alibay, Irfan, Swenson, David W. H., Baumann, Hannah M., Henry, Michael M., Eastwood, James R. B., Gowers, Richard J.

المصدر: Journal of Chemical Theory & Computation; 3/12/2024, Vol. 20 Issue 5, p1862-1877, 16p

المؤلفون: Bonomi, Massimiliano, Bussi, Giovanni, Camilloni, Carlo, Tribello, Gareth A., Banáš, Pavel, Barducci, Alessandro, Bernetti, Mattia, Bolhuis, Peter G., Bottaro, Sandro, Branduardi, Davide, Capelli, Riccardo, Carloni, Paolo, Ceriotti, Michele, Cesari, Andrea, Chen, Haochuan, Chen, Wei, Colizzi, Francesco, De, Sandip, Pierre, Marco de La, Donadio, Davide, Drobot, Viktor, Ensing, Bernd, Ferguson, Andrew L., Filizola, Marta, Fraser, James S., Fu, Haohao, Gasparotto, Piero, Gervasio, Francesco Luigi, Giberti, Federico, Gil-Ley, Alejandro, Giorgino, Toni, Heller, Gabriella T., Hocky, Glen M., Iannuzzi, Marcella, Invernizzi, Michele, Jelfs, Kim E., Jussupow, Alexander, Kirilin, Evgeny, Laio, Alessandro, Limongelli, Vittorio, Lindorff-Larsen, Kresten, Löhr, Thomas, Marinelli, Fabrizio, Martin-Samos, Layla, Masetti, Matteo, Meyer, Ralf, Michaelides, Angelos, Molteni, Carla, Morishita, Tetsuya, Nava, Marco, Paissoni, Cristina, Papaleo, Elena, Parrinello, Michele, Pfaendtner, Jim, Piaggi, Pablo, Piccini, Giovannimaria, Pietropaolo, Adriana, Pietrucci, Fabio, Pipolo, Silvio, Provasi, Davide, Quigley, David, Raiteri, Paolo, Raniolo, Stefano, Rydzewski, Jakub, Salvalaglio, Matteo, Sosso, Gabriele Cesare, Spiwok, Vojtěch, Šponer, Jiří, Swenson, David W. H., Tiwary, Pratyush, Valsson, Omar, Vendruscolo, Michele, Voth, Gregory, A., White, Andrew, Consortium, The Plumed

المساهمون: Département de Biologie structurale et Chimie - Department of Structural Biology and Chemistry, Institut Pasteur Paris (IP), Bioinformatique structurale - Structural Bioinformatics, Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS), Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies (SISSA / ISAS), Università degli Studi di Milano = University of Milan (UNIMI), Queen's University Belfast (QUB), Centre de Biochimie Structurale Montpellier (CBS), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Institut de recherche pour le développement IRD : UR206-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Centrale Lille-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Centre Blaise Pascal (CBP), École normale supérieure de Lyon (ENS de Lyon), Université de Lyon-Université de Lyon, University of Rochester USA

المصدر: ISSN: 1548-7091.

مصطلحات موضوعية: [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]

Relation: info:eu-repo/semantics/altIdentifier/pmid/31363226; PUBMED: 31363226

الاتاحة: https://hal.science/hal-03135913
https://hal.science/hal-03135913v1/document
https://hal.science/hal-03135913v1/file/PLUMED_consortium.pdf
https://doi.org/10.1038/s41592-019-0506-8

المؤلفون: Vreede, Jocelyne, Pérez de Alba Ortíz, Alberto, Bolhuis, Peter G, Swenson, David W H

المساهمون: Netherlands Organization for Scientific Research, Mexican National Council for Science and Technology

المصدر: Nucleic Acids Research ; volume 47, issue 21, page 11069-11076 ; ISSN 0305-1048 1362-4962

الاتاحة: https://doi.org/10.1093/nar/gkz837
http://academic.oup.com/nar/article-pdf/47/21/11069/31074367/gkz837.pdf

المؤلفون: Gowers, Richard J, Alibay, Irfan, Swenson, David W H, Henry, Michael M, Ries, Benjamin

Relation: https://zenodo.org/communities/openfreeenergy; https://zenodo.org/communities/omsf; https://doi.org/10.5281/zenodo.8388863; https://doi.org/10.5281/zenodo.8388864; oai:zenodo.org:8388864

الاتاحة: https://doi.org/10.5281/zenodo.8388864

المؤلفون: Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.

المساهمون: National Cancer Institute, Deutsche Forschungsgemeinschaft, H2020 Research Infrastructures, H2020 European Research Council, National Institute of General Medical Sciences, Sloan Kettering Institute

المصدر: Journal of Chemical Theory and Computation ; volume 15, issue 2, page 813-836 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/acs.jctc.8b00626
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00626
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00626

المؤلفون: Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.

المساهمون: National Cancer Institute, Deutsche Forschungsgemeinschaft, H2020 Research Infrastructures, National Institute of General Medical Sciences, H2020 European Research Council, Sloan Kettering Institute

المصدر: Journal of Chemical Theory and Computation ; volume 15, issue 2, page 837-856 ; ISSN 1549-9618 1549-9626

الاتاحة: http://dx.doi.org/10.1021/acs.jctc.8b00627
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00627
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00627

المؤلفون: Newton, Arthur C., Kools, Ramses, Swenson, David W. H., Bolhuis, Peter G.

المصدر: Journal of Chemical Physics; 2017, Vol. 147 Issue 15, p1-12, 12p, 13 Graphs

مصطلحات موضوعية: DISSOCIATION (Chemistry), PARTICLES, COLLOIDS, DIMERIZATION kinetics, ANALYTICAL mechanics

المؤلفون: Swenson, David W. H.¹, Bolhuisa, Peter G.¹ p.g.bolhuis@uva.nl

المصدر: Journal of Chemical Physics. 7/28/2014, Vol. 141 Issue 4, p1-11. 11p. 2 Diagrams, 8 Graphs.

مصطلحات موضوعية: *INTERFACES (Physical sciences), *CHEMICAL reactions, *CHEMICAL kinetics, *KINETIC energy, *STOCHASTIC convergence, *MICROSTATES (Statistical mechanics)

المؤلفون: Swenson, David W. H., Dellago, Christoph, Bolhuis, Peter G., Jony Castagna, Hanson, Sonya M.

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5f8514ff3e4390c923f5a88eca5113bb

المؤلفون: Li, Bin, Levy, Tal J., Swenson, David W. H., Rabani, Eran, Miller, William H.

المصدر: Journal of Chemical Physics; Mar2013, Vol. 138 Issue 10, p104110, 6p, 4 Graphs

مصطلحات موضوعية: QUANTUM chemistry, HAMILTONIAN operator, TEMPERATURE effect, GAUSSIAN processes, QUANTITATIVE chemical analysis, ELECTRONS, RESONANCE

المؤلفون: Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.

المصدر: Journal of Chemical Theory & Computation; Feb2019, Vol. 15 Issue 2, p837-856, 20p

المؤلفون: Swenson, David W. H., Prinz, Jan-Hendrik, Noe, Frank, Chodera, John D., Bolhuis, Peter G.

المصدر: Journal of Chemical Theory & Computation; Feb2019, Vol. 15 Issue 2, p813-836, 24p