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1 to 10 of 996 Results
amd_B1_ff14SB_OPC_EXTENDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: cc1aba136874dcc5085c08033c781ec4
input file for amd simulation of B1 with ff14SB_OPC starting from extended
amd_B1_ff14SB_OPC_MISFOLDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: 21fb1790a8c849e3fb24b88f6907fdc8
input file for amd simulation of B1 with ff14SB_OPC starting from misfolded
amd_B1_ff14SB_TIP3P_EXTENDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: d837277376bab79866411b531ea49f31
input file for amd simulation of B1 with ff14SB_TIP3P starting from extended
amd_B1_ff14SB_TIP3P_MISFOLDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: f9554fb76a8427e6270072fa27e3f1e7
input file for amd simulation of B1 with ff14SB_TIP3P starting from misfolded
amd_B1_ff19SB_OPC_EXTENDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: 12a3bdad59b0d5f1bbe8dbf85a6b2a59
input file for amd simulation of B1 with ff19SB_OPC starting from extended
amd_B1_ff19SB_OPC_MISFOLDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: 7225df98a2900cfebf3ee8e62f63eca3
input file for amd simulation of B1 with ff19SB_OPC starting from misfolded
amd_B1_ff19SB_TIP3P_EXTENDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: ab6b4e11a6e92d49c87dcf47cbe8b22e
input file for amd simulation of B1 with ff19SB_TIP3P starting from extended
amd_B1_ff19SB_TIP3P_MISFOLDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: c4c7a44b14b3c853503d42b10bd1f555
input file for amd simulation of B1 with ff19SB_TIP3P starting from misfolded
amd_B1_ff99SB_OPC_EXTENDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: 7d901c5ee3f96e4793f1581daeeba51e
input file for amd simulation of B1 with ff99SB_OPC starting from extended
amd_B1_ff99SB_OPC_MISFOLDED.in
Jun 18, 2024 - Replication Data for "Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models"
Plain Text - 417 B - MD5: 1da93349b539747623d22c1da0317cc9
input file for amd simulation of B1 with ff99SB_OPC starting from misfolded
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