{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2016:662BYLINN5TQTJS4HVNIIEZIBD","short_pith_number":"pith:662BYLIN","canonical_record":{"source":{"id":"1607.05492","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-07-19T09:44:22Z","cross_cats_sorted":[],"title_canon_sha256":"04e7d6e961e53912bddd07ef3af530321bd96b9aa712c981bb8d25300d044425","abstract_canon_sha256":"9ce24368fd3b4848deaaa77b09d56fab28b7323dae24764e6ab63d5fb63b072c"},"schema_version":"1.0"},"canonical_sha256":"f7b41c2d0d6f6709a65c3d5a84132808f61499f80a0f6507621cb19ce10eb60e","source":{"kind":"arxiv","id":"1607.05492","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1607.05492","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"arxiv_version","alias_value":"1607.05492v1","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1607.05492","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"pith_short_12","alias_value":"662BYLINN5TQ","created_at":"2026-05-18T12:30:01Z"},{"alias_kind":"pith_short_16","alias_value":"662BYLINN5TQTJS4","created_at":"2026-05-18T12:30:01Z"},{"alias_kind":"pith_short_8","alias_value":"662BYLIN","created_at":"2026-05-18T12:30:01Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2016:662BYLINN5TQTJS4HVNIIEZIBD","target":"record","payload":{"canonical_record":{"source":{"id":"1607.05492","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-07-19T09:44:22Z","cross_cats_sorted":[],"title_canon_sha256":"04e7d6e961e53912bddd07ef3af530321bd96b9aa712c981bb8d25300d044425","abstract_canon_sha256":"9ce24368fd3b4848deaaa77b09d56fab28b7323dae24764e6ab63d5fb63b072c"},"schema_version":"1.0"},"canonical_sha256":"f7b41c2d0d6f6709a65c3d5a84132808f61499f80a0f6507621cb19ce10eb60e","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:10:46.745052Z","signature_b64":"t87sIIHth/7hIDxSppqnXYrJEVlFfP5L32K/0fiCQ9UELyH4+8DsIcc+nSOrhalBOirzlOvUW2RzuyZsaV8DBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f7b41c2d0d6f6709a65c3d5a84132808f61499f80a0f6507621cb19ce10eb60e","last_reissued_at":"2026-05-18T01:10:46.744476Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:10:46.744476Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1607.05492","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T01:10:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"d5CISEj/nKTrtdhxKlfonVCotYAImkUjfVEtmD8JsNaKhjYcMYJ9qPawhwVSUJEElskBwkwfUTFYBCyZU/8RBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-01T16:07:33.279650Z"},"content_sha256":"893de5f1f94fcf759213e0afbda79afacee0fa062b1adcd8ff9415098a33cecb","schema_version":"1.0","event_id":"sha256:893de5f1f94fcf759213e0afbda79afacee0fa062b1adcd8ff9415098a33cecb"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2016:662BYLINN5TQTJS4HVNIIEZIBD","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Joseph F. Rudzinski, Tristan Bereau","submitted_at":"2016-07-19T09:44:22Z","abstract_excerpt":"The parametrization of coarse-grained (CG) simulation models for molecular systems often aims at reproducing static properties alone. The reduced molecular friction of the CG representation usually results in faster, albeit inconsistent, dynamics. In this work, we rely on Markov state models to simultaneously characterize the static and kinetic properties of two CG peptide force fields---one top-down and one bottom-up. Instead of a rigorous evolution of CG dynamics (e.g., using a generalized Langevin equation), we attempt to improve the description of kinetics by simply altering the existing C"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1607.05492","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T01:10:46Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Hwwkei3N1JBuGfAzSc7xol6ebWaNOSljBzDiuzbnXYE6r8tLlX3310YPjzEWDAeTYoa5f4vmGFGRbQTUdNscBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-01T16:07:33.279993Z"},"content_sha256":"61d05cbdfd0520948e2687efcd650962a8a43305e11a3359d00f5ad3a70658e2","schema_version":"1.0","event_id":"sha256:61d05cbdfd0520948e2687efcd650962a8a43305e11a3359d00f5ad3a70658e2"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/662BYLINN5TQTJS4HVNIIEZIBD/bundle.json","state_url":"https://pith.science/pith/662BYLINN5TQTJS4HVNIIEZIBD/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/662BYLINN5TQTJS4HVNIIEZIBD/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-07-01T16:07:33Z","links":{"resolver":"https://pith.science/pith/662BYLINN5TQTJS4HVNIIEZIBD","bundle":"https://pith.science/pith/662BYLINN5TQTJS4HVNIIEZIBD/bundle.json","state":"https://pith.science/pith/662BYLINN5TQTJS4HVNIIEZIBD/state.json","well_known_bundle":"https://pith.science/.well-known/pith/662BYLINN5TQTJS4HVNIIEZIBD/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:662BYLINN5TQTJS4HVNIIEZIBD","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"9ce24368fd3b4848deaaa77b09d56fab28b7323dae24764e6ab63d5fb63b072c","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-07-19T09:44:22Z","title_canon_sha256":"04e7d6e961e53912bddd07ef3af530321bd96b9aa712c981bb8d25300d044425"},"schema_version":"1.0","source":{"id":"1607.05492","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1607.05492","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"arxiv_version","alias_value":"1607.05492v1","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1607.05492","created_at":"2026-05-18T01:10:46Z"},{"alias_kind":"pith_short_12","alias_value":"662BYLINN5TQ","created_at":"2026-05-18T12:30:01Z"},{"alias_kind":"pith_short_16","alias_value":"662BYLINN5TQTJS4","created_at":"2026-05-18T12:30:01Z"},{"alias_kind":"pith_short_8","alias_value":"662BYLIN","created_at":"2026-05-18T12:30:01Z"}],"graph_snapshots":[{"event_id":"sha256:61d05cbdfd0520948e2687efcd650962a8a43305e11a3359d00f5ad3a70658e2","target":"graph","created_at":"2026-05-18T01:10:46Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"The parametrization of coarse-grained (CG) simulation models for molecular systems often aims at reproducing static properties alone. The reduced molecular friction of the CG representation usually results in faster, albeit inconsistent, dynamics. In this work, we rely on Markov state models to simultaneously characterize the static and kinetic properties of two CG peptide force fields---one top-down and one bottom-up. Instead of a rigorous evolution of CG dynamics (e.g., using a generalized Langevin equation), we attempt to improve the description of kinetics by simply altering the existing C","authors_text":"Joseph F. Rudzinski, Tristan Bereau","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-07-19T09:44:22Z","title":"Concurrent parametrization against static and kinetic information leads to more robust coarse-grained force fields"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1607.05492","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:893de5f1f94fcf759213e0afbda79afacee0fa062b1adcd8ff9415098a33cecb","target":"record","created_at":"2026-05-18T01:10:46Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"9ce24368fd3b4848deaaa77b09d56fab28b7323dae24764e6ab63d5fb63b072c","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-07-19T09:44:22Z","title_canon_sha256":"04e7d6e961e53912bddd07ef3af530321bd96b9aa712c981bb8d25300d044425"},"schema_version":"1.0","source":{"id":"1607.05492","kind":"arxiv","version":1}},"canonical_sha256":"f7b41c2d0d6f6709a65c3d5a84132808f61499f80a0f6507621cb19ce10eb60e","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f7b41c2d0d6f6709a65c3d5a84132808f61499f80a0f6507621cb19ce10eb60e","first_computed_at":"2026-05-18T01:10:46.744476Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:10:46.744476Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"t87sIIHth/7hIDxSppqnXYrJEVlFfP5L32K/0fiCQ9UELyH4+8DsIcc+nSOrhalBOirzlOvUW2RzuyZsaV8DBQ==","signature_status":"signed_v1","signed_at":"2026-05-18T01:10:46.745052Z","signed_message":"canonical_sha256_bytes"},"source_id":"1607.05492","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:893de5f1f94fcf759213e0afbda79afacee0fa062b1adcd8ff9415098a33cecb","sha256:61d05cbdfd0520948e2687efcd650962a8a43305e11a3359d00f5ad3a70658e2"],"state_sha256":"6549b55571b033356adb9197d514100e7ce95c0a7ea9565c0e7be3759893ed53"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"FnerQeANFGFjYWlj8qhxIDIUWbqBpcYxKJbDdHdTBIre/2nGirV97pNmy+JxFCY+iDb6vBL/+C7JFCUwrvHCBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-01T16:07:33.281935Z","bundle_sha256":"3531888fd0f7e4da319dcafda3901a4fd71e1338876e59f97257ff8d90780af2"}}